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Journal Article: Multistep transitions in spin crossover materials without long-range spin state order from dimensional reduction
Ruzzi, Gian, Cruddas, Jace and Powell, Benjamin J. (2024). Multistep transitions in spin crossover materials without long-range spin state order from dimensional reduction. Materials Advances, 5 (5), 2057-2068. doi: 10.1039/d3ma01057k
Journal Article: Gapless spinons and a field-induced soliton gap in the hyperhoneycomb Cu oxalate framework compound [( C2H5)3NH]2Cu2(C2O4)3
Dissanayake, C., Jacko, A. C., Kumarasinghe, K., Munir, R., Siddiquee, H., Newsome, W. J., Uribe-Romo, F. J., Choi, E. S., Yadav, S., Hu, X.-Z., Takano, Y., Pakhira, S., Johnston, D. C., Ding, Q.-P., Furukawa, Y., Powell, B. J. and Nakajima, Y. (2023). Gapless spinons and a field-induced soliton gap in the hyperhoneycomb Cu oxalate framework compound [( C2H5)3NH]2Cu2(C2O4)3. Physical Review B, 108 (13) 134418. doi: 10.1103/physrevb.108.134418
Journal Article: Topological superconductivity from doping a triplet quantum spin liquid in a flat-band system
López, Manuel Fernández, Powell, Ben J. and Merino, Jaime (2022). Topological superconductivity from doping a triplet quantum spin liquid in a flat-band system. Physical Review B, 106 (23) 235129, 1-17. doi: 10.1103/PhysRevB.106.235129
Switching, sensing and multifunctionality in spin crossover materials
(2023–2026) ARC Discovery Projects
(2020–2023) University of Sydney
2D or not 2D? Beyond the standard model of organic quantum spin liquids
(2018–2021) ARC Discovery Projects
Theories of strongly correlated electrons in metal-organic frameworks
Doctor Philosophy
Collective Dynamics of Trapped Excited Spin-States in Spin Crossover Materials.
(2023) Doctor Philosophy
Emergent behaviours in spin crossover materials
(2023) Doctor Philosophy
New types of particles in spin-crossover materials
Condensed matter physicists sometimes pity our colleagues in high-energy physics. They are limited to studying a single vacuum and its excitations: the particles of the standard model. For condensed matter physicists every new phase of matter brings a new ‘vacuum’. Remarkably the low-energy excitations of these new vacua can be very different from the individual electrons, protons and neutrons that constitute the material. The condensed matter multiverse contains universes where the particle-like excitations carry only a fraction of the elementary electronic charge are magnetic monopole, or are their own antiparticle. None of these properties have ever been observed in the particles found in free space. Often emergent gauge fields accompany these ‘fractionalized’ particles, just as electromagnetic gauge fields accompany charged particles.
In this project you will discover the nature of the particles that emerge a recently phase of matter – the spin-state ice – that is predicted to occur in spin crossover materials. You will develop new theories of these materials and seek to discover other exotic phases in them.
Some molecules are magnetic. Others are not. Spin-crossover molecules are unusual because they can be switched between magnetic (high-spin) and non-magnetic (more generally, low-spin) states by temperature, pressure, chemical environment, or irradiation by light. Furthermore, materials containing spin-crossover molecules can display phase transitions between states with different spatial patterns of molecules with high- and low-spin that have similarities to emergent states with magnetic, orbital and charge ordering, such as antiferromagnetism.
The fundamental question you will investigate is: why does this happen? This will require the application of state-of-the-art computational methodologies to describe the quantum behavior of the electrons in these materials. Importantly, the electrons interact strongly with one another in these systems. This means that the behaviors are collective and the standard approaches to chemistry, where we treat each electron independently, fail miserably. Instead you will use supercomputers to model the collective physics.
Design and control of quantum materials: metal organic frameworks (MOFs)
Materials are vital for modern technology. Our understanding and control of the physics of silicon enabled the digital revolution. But electron-electron interactions are not important for the physics of silicon. In many other materials quantum mechanical electron-electron interactions determine the properties of the materials. These quantum materials show amazing properties such as high temperature superconductivity and sometime have excitations that are very different from the properties of the vacuum [1]. If we could routinely design and control quantum materials it would revolutionise technologies from electricity distribution to computing. But currently we have very limited abilities to design quantum materials. A new class of materials, MOFs, may be the key to enabling the rational design of quantum materials. Several projects are available in this area using techniques varying from supercomputer calculations to pen and paper theory to help change this in collaboration with world leading synthetic chemists and experimental physicists.
[1] B. J. Powell, The expanding materials multiverse, Science 360, 1074 (2018)
Understanding melanin: a nano-based material for the future
Mostert, A. B., Meredith, P., Powell, B. J., Gentle, I. R., Hanson, G. R and Pratt, F. L. (2016). Understanding melanin: a nano-based material for the future. Nanomaterials: science and applications. (pp. 175-202) edited by Deborah Kane, Adam Micolich and Peter Roger. Boca Raton, FL, United States: Pan Stanford. doi: 10.1201/b20041-8
An introduction to effective low-energy Hamiltonians in condensed matter physics and chemistry
Powell, Ben J. (2011). An introduction to effective low-energy Hamiltonians in condensed matter physics and chemistry. Computational methods for large systems: Electronic structure approaches for biotechnology and nanotechnology. (pp. 309-366) edited by Jeffrey R. Reimers. Hoboken, NJ, United States: Wiley. doi: 10.1002/9780470930779.ch10
Broadband Photon-harvesting Biomolecules for Photovoltaics
Meredith, Paul, Powell, Ben J., Riesz, Jenny, Vogel, Robert, Blake, David, Kartini, Indriani, Will, Geff and Subianto, Surya (2006). Broadband Photon-harvesting Biomolecules for Photovoltaics. Artificial Photosynthesis: From Basic Biology to Industrial Application. (pp. 35-65) Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA. doi: 10.1002/3527606742.ch3
Ruzzi, Gian, Cruddas, Jace and Powell, Benjamin J. (2024). Multistep transitions in spin crossover materials without long-range spin state order from dimensional reduction. Materials Advances, 5 (5), 2057-2068. doi: 10.1039/d3ma01057k
Dissanayake, C., Jacko, A. C., Kumarasinghe, K., Munir, R., Siddiquee, H., Newsome, W. J., Uribe-Romo, F. J., Choi, E. S., Yadav, S., Hu, X.-Z., Takano, Y., Pakhira, S., Johnston, D. C., Ding, Q.-P., Furukawa, Y., Powell, B. J. and Nakajima, Y. (2023). Gapless spinons and a field-induced soliton gap in the hyperhoneycomb Cu oxalate framework compound [( C2H5)3NH]2Cu2(C2O4)3. Physical Review B, 108 (13) 134418. doi: 10.1103/physrevb.108.134418
Topological superconductivity from doping a triplet quantum spin liquid in a flat-band system
López, Manuel Fernández, Powell, Ben J. and Merino, Jaime (2022). Topological superconductivity from doping a triplet quantum spin liquid in a flat-band system. Physical Review B, 106 (23) 235129, 1-17. doi: 10.1103/PhysRevB.106.235129
Ahmed, Manan, Arachchige, Kasun S. A., Xie, Zixi, Price, Jason R., Cruddas, Jace, Clegg, Jack K., Powell, Benjamin J., Kepert, Cameron J. and Neville, Suzanne M. (2022). Guest-induced multistep to single-step spin-crossover switching in a 2-D Hofmann-like framework with an amide-appended ligand. Inorganic Chemistry, 61 (30), 11667-11674. doi: 10.1021/acs.inorgchem.2c01253
Murase, Ryuichi, Hudson, Timothy A., Aldershof, Thomas S., Nguyen, Ky V., Gluschke, Jan G., Kenny, Elise P., Zhou, Xiuwen, Wang, Tiesheng, van Koeverden, Martin P., Powell, Benjamin J., Micolich, Adam P., Abrahams, Brendan F. and D’Alessandro, Deanna M. (2022). Multi-redox responsive behavior in a mixed-valence semiconducting framework based on bis-[1,2,5]-thiadiazolo-tetracyanoquinodimethane. Journal of the American Chemical Society, 144 (29), 13242-13253. doi: 10.1021/jacs.2c03794
Xu, Luonan, Xie, Zixi, Zenere, Katrina A., Clegg, Jack K., Kenny, Elise, Rijs, Nicole J., Jameson, Guy N. L., Kepert, Cameron J., Powell, Benjamin J. and Neville, Suzanne M. (2022). Co-existence of five- and six-coordinate iron(ii) species captured in a geometrically strained spin-crossover Hofmann framework. Dalton Transactions, 51 (25), 9596-9600. doi: 10.1039/d2dt01371a
Nourse, H. L., McKenzie, Ross H. and Powell, B. J. (2022). C3 symmetry breaking metal-insulator transitions in a flat band in the half-filled Hubbard model on the decorated honeycomb lattice. Physical Review B, 105 (20) 205119. doi: 10.1103/physrevb.105.205119
Nadeem, M., Cruddas, Jace, Ruzzi, Gian and Powell, Benjamin J. (2022). Toward high-temperature light-induced spin-state trapping in spin-crossover materials: the interplay of collective and molecular effects. Journal of the American Chemical Society, 144 (20) 2c03202, 9138-9148. doi: 10.1021/jacs.2c03202
Regulation of multistep spin crossover across multiple stimuli in a 2-D framework material
Ahmed, Manan, Zenere, Katrina A., Sciortino, Natasha F., Arachchige, Kasun S. A., Turner, Gemma F., Cruddas, Jace, Hua, Carol, Price, Jason R., Clegg, Jack K., Valverde-Muñoz, Francisco Javier, Real, Jose A., Chastanet, Guillaume, Moggach, Stephen A., Kepert, Cameron J., Powell, Benjamin J. and Neville, Suzanne M. (2022). Regulation of multistep spin crossover across multiple stimuli in a 2-D framework material. Inorganic Chemistry, 61 (17), 6641-6649. doi: 10.1021/acs.inorgchem.2c00530
Nourse, H. L., McKenzie, Ross H. and Powell, B. J. (2021). Spin-0 Mott insulator to metal to spin-1 Mott insulator transition in the single-orbital Hubbard model on the decorated honeycomb lattice. Physical Review B, 104 (7) 075104. doi: 10.1103/physrevb.104.075104
x−[Pd(dmit)2]2 as a quasi-one-dimensional scalene Heisenberg model
Kenny, E. P., Jacko, A. C. and Powell, B. J. (2021). x−[Pd(dmit)2]2 as a quasi-one-dimensional scalene Heisenberg model. Physical Review Materials, 5 (8) 084412. doi: 10.1103/PhysRevMaterials.5.084412
Multiple Coulomb phases with temperature-tunable ice rules in pyrochlore spin-crossover materials
Cruddas, Jace and Powell, B. J. (2021). Multiple Coulomb phases with temperature-tunable ice rules in pyrochlore spin-crossover materials. Physical Review B, 104 (2) 024433, 1-8. doi: 10.1103/physrevb.104.024433
Tight-binding approach to pyrazine-mediated superexchange in copper–pyrazine antiferromagnets
Kenny, E. P., Jacko, A. C. and Powell, B. J. (2021). Tight-binding approach to pyrazine-mediated superexchange in copper–pyrazine antiferromagnets. Inorganic Chemistry, 60 (16) acs.inorgchem.1c00532, 11907-11914. doi: 10.1021/acs.inorgchem.1c00532
Spin-state smectics in spin crossover materials
Cruddas, J., Ruzzi, G. and Powell, B. J. (2021). Spin-state smectics in spin crossover materials. Journal of Applied Physics, 129 (18) 185102, 185102. doi: 10.1063/5.0045763
Unconventional superconductivity near a flat band in organic and organometallic materials
Merino, Jaime, López, Manuel Fernández and Powell, Ben J. (2021). Unconventional superconductivity near a flat band in organic and organometallic materials. Physical Review B, 103 (9) 094517. doi: 10.1103/PhysRevB.103.094517
Ezzedinloo, Lida, Zenere, Katrina A., Xie, Zixi, Ahmed, Manan, Scottwell, SynØve, Bhadbhade, Mohan, Brand, Helen E. A., Clegg, Jack K., Hua, Carol, Sciortino, Natasha F., Parker, Lachlan C., Powell, Benjamin J., Kepert, Cameron J. and Neville, Suzanne M. (2021). Hierarchical spin-crossover cooperativity in hybrid 1D chains of FeII-1,2,4-triazole trimers linked by [Au(CN)2]− bridges. Chemistry - A European Journal, 27 (16), 5136-5141. doi: 10.1002/chem.202100358
Fate of the Hebel-Slichter peak in superconductors with strong antiferromagnetic fluctuations
Cavanagh, D. C. and Powell, B. J. (2021). Fate of the Hebel-Slichter peak in superconductors with strong antiferromagnetic fluctuations. Physical Review Research, 3 (1) 013241. doi: 10.1103/physrevresearch.3.013241
Ong, Xandria, Ahmed, Manan, Xu, Luonan, Brennan, Ashley T., Hua, Carol, Zenere, Katrina A., Xie, Zixi, Kepert, Cameron J., Powell, Benjamin J. and Neville, Suzanne M. (2021). Spin-crossover 2-D Hofmann frameworks incorporating an amide-functionalized ligand: N-(pyridin-4-yl)benzamide. Chemistry, 3 (1), 360-372. doi: 10.3390/chemistry3010026
Nourse, H. L., McKenzie, Ross H. and Powell, B. J. (2021). Multiple insulating states due to the interplay of strong correlations and lattice geometry in a single-orbital Hubbard model. Physical Review B, 103 (8) L081114. doi: 10.1103/physrevb.103.l081114
Ahmed, Manan, Brand, Helen E. A., Peterson, Vanessa K., Clegg, Jack K., Kepert, Cameron J., Price, Jason R., Powell, Benjamin J. and Neville, Suzanne M. (2021). Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover. Dalton Transactions, 50 (4), 1434-1442. doi: 10.1039/d0dt04007j
Jacko, Anthony C. and Powell, Benjamin J. (2021). Quasi-one dimensional magnetic interactions in the three-dimensional hyper-honeycomb framework [(C2H5)3NH]2Cu2(C2O4)3. Physical Chemistry Chemical Physics, 23 (8), 5012-5019. doi: 10.1039/d0cp05999d
Quantitative calculations of the non-radiative rate of phosphorescent Ir(iii) complexes
Zhou, Xiuwen and Powell, Benjamin J. (2020). Quantitative calculations of the non-radiative rate of phosphorescent Ir(iii) complexes. Physical Chemistry Chemical Physics, 22 (46), 27348-27356. doi: 10.1039/d0cp04709k
Emergent particles and gauge fields in quantum matter
Powell, Ben J. (2020). Emergent particles and gauge fields in quantum matter. Contemporary Physics, 61 (2), 1-36. doi: 10.1080/00107514.2020.1832350
Cruddas, Jace and Powell, Ben (2020). Structure-property relationships and the mechanisms of multistep transitions in spin crossover materials and frameworks. Inorganic Chemistry Frontiers, 7 (22), 4424-4437. doi: 10.1039/d0qi00799d
Fast, accurate enthalpy differences in spin crossover crystals from DFT+U
Ohlrich, Miriam and Powell, Ben J. (2020). Fast, accurate enthalpy differences in spin crossover crystals from DFT+U. The Journal of Chemical Physics, 153 (10) 104107, 104107. doi: 10.1063/5.0020706
Kenny, E. P., David, G., Ferré, N., Jacko, A. C. and Powell, B. J. (2020). Frustration, ring exchange, and the absence of long-range order in EtMe3Sb[Pd(dmit)2]2 : From first principles to many-body theory. Physical Review Materials, 4 (4) 044403. doi: 10.1103/physrevmaterials.4.044403
Jacko, A. C., Kenny, E. P. and Powell, B. J. (2020). Interplay of dipoles and spins in κ−(BEDT−TTF)2X , where X=Hg(SCN)2Cl, Hg(SCN)2Br, Cu[N(CN)2]Cl, Cu[N(CN)2]Br , and Ag2(CN)3. Physical Review B, 101 (12) 125110. doi: 10.1103/physrevb.101.125110
Janani, C., Merino, J., McCulloch, Ian P. and Powell, B. J. (2020). Publisher's Note: Low-energy effective theories of the two-thirds filled hubbard model on the triangular necklace lattice (Physical Review B (2014) 90 (035120) DOI: 10.1103/PhysRevB.90.035120). Physical Review B, 101 (8) 089903. doi: 10.1103/PhysRevB.101.089903
Spin-state ice in elastically frustrated spin-crossover materials
Cruddas, Jace and Powell, B. J. (2019). Spin-state ice in elastically frustrated spin-crossover materials. Journal of the American Chemical Society, 141 (50) jacs.9b09191, 19790-19799. doi: 10.1021/jacs.9b09191
Mechanomagnetics in elastic crystals: insights from [Cu(acac)2]
Kenny, Elise P., Jacko, Anthony C. and Powell, Ben J. (2019). Mechanomagnetics in elastic crystals: insights from [Cu(acac)2]. Angewandte Chemie, 131 (42), 15226-15232. doi: 10.1002/ange.201907889
Cavanagh, D. C. and Powell, B. J. (2019). Umklapp scattering in unconventional superconductors: Microwave conductivity shows that kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br is a d(xy) superconductor. Physical Review B, 100 (5) 054505. doi: 10.1103/PhysRevB.100.054505
Merino, Jaime, Jacko, Anthony C., Khosla, Amie L., Ralko, Arnaud and Powell, Ben J. (2019). Erratum: Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo3S7(dmit)3 crystals (vol 8, 101430, 2018). Aip Advances, 9 (2) 029903, 029903. doi: 10.1063/1.5092508
Merino, Jaime, Jacko, Anthony C., Kohsla, Amie L., Ralko, Arnaud and Powell, Ben J. (2018). Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo3S7(dmit)3 crystals. AIP Advances, 8 (10) 101430, 101430. doi: 10.1063/1.5041341
Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes
Zhou, Xiuwen and Powell, Benjamin J. (2018). Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes. Inorganic Chemistry, 57 (15) acs.inorgchem.8b00800, 8881-8889. doi: 10.1021/acs.inorgchem.8b00800
The expanding materials multiverse
Powell, Ben J. (2018). The expanding materials multiverse. Science, 360 (6393), 1073-1074. doi: 10.1126/science.aat7282
Powell, B. J., Kenny, E. P. and Merino, J. (2018). Erratum: Dynamical reduction of the dimensionality of exchange interactions and the "spin-liquid" phase of κ - 2X (Physical Review Letters (2017) 119 (087204) DOI: 10.1103/PhysRevLett.119.087204). Physical Review Letters, 120 (19) 199901. doi: 10.1103/PhysRevLett.120.199901
Magnetic excitations of the Cu2+ quantum spin chain in Sr3CuPtO6
Leiner, J. C., Oh, Joosung, Kolesnikov, A. I., Stone, M. B., Le, Manh Duc, Kenny, E. P., Powell, B. J., Mourigal, M., Gordon, E. E., Whangbo, M. H., Kim, J. W., Cheong, S. W. and Park, Je-Geun (2018). Magnetic excitations of the Cu2+ quantum spin chain in Sr3CuPtO6. Physical Review B, 97 (10) 104426, 1-8. doi: 10.1103/PhysRevB.97.104426
Nuclear magnetic resonance in low-symmetry superconductors
Cavanagh, D. C. and Powell, B. J. (2018). Nuclear magnetic resonance in low-symmetry superconductors. Physical Review B, 97 (2) 024509. doi: 10.1103/PhysRevB.97.024509
Powell, B. J. (2017). Balance and frustration in strongly correlated itinerant electron systems: an extension of Nagaoka's theorem. Physical Review B, 96 (17) 174435. doi: 10.1103/PhysRevB.96.174435
Merino, J., Jacko, A. C., Khosla, A. L. and Powell, B. J. (2017). Effects of anisotropy in spin molecular-orbital coupling on effective spin models of trinuclear organometallic complexes. Physical Review B, 96 (20) 205118. doi: 10.1103/PhysRevB.96.205118
Powell, B. J., Kenny, E. P. and Merino, J. (2017). Dynamical Reduction of the Dimensionality of Exchange Interactions and the "Spin-Liquid" Phase of kappa-(BEDT-TTF)(2)X. Physical Review Letters, 119 (8) 087204, 087204. doi: 10.1103/PhysRevLett.119.087204
Correction to bond fission and non-radiative decay in iridium(III) complexes
Zhou, Xiuwen, Burn, Paul L and Powell, Benjamin J (2017). Correction to bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 56 (13), 7574-7574. doi: 10.1021/acs.inorgchem.7b01260
Zhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2017). Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes. Journal of Chemical Physics, 146 (17) 174305, 174305-1-174305-6. doi: 10.1063/1.4981797
Spin-orbit coupling in Mo3 S7(dmit)3
Jacko, A. C., Khosla, A. L., Merino, J. and Powell, B. J. (2017). Spin-orbit coupling in Mo3 S7(dmit)3. Physical Review B, 95 (15) 155120. doi: 10.1103/PhysRevB.95.155120
Powell, B. J., Merino, J., Khosla, A. L. and Jacko, A. C. (2017). Heisenberg and Dzyaloshinskii-Moriya interactions controlled by molecular packing in trinuclear organometallic clusters. Physical Review B, 95 (9) 094432. doi: 10.1103/PhysRevB.95.094432
Spin-orbit coupling and strong electronic correlations in cyclic molecules
Khosla, A. L., Jacko, A. C., Merino, J. and Powell, B. J. (2017). Spin-orbit coupling and strong electronic correlations in cyclic molecules. Physical Review B: Condensed Matter and Materials Physics, 95 (11) 115109. doi: 10.1103/PhysRevB.95.115109
Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films
Tonnelé, Claire, Stroet, Martin, Caron, Bertrand, Clulow, Andrew J., Nagiri, Ravi C. R., Malde, Alpeshkumar K., Burn, Paul L., Gentle, Ian R., Mark, Alan E. and Powell, Benjamin J. (2017). Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films. Angewandte Chemie, 129 (29), 8522-8526. doi: 10.1002/ange.201610727
Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films
Tonnelé, Claire, Stroet, Martin, Caron, Bertrand, Clulow, Andrew J., Nagiri, Ravi C. R., Malde, Alpeshkumar K., Burn, Paul L., Gentle, Ian R., Mark, Alan E. and Powell, Benjamin J. (2017). Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films. Angewandte Chemie - International Edition, 56 (29), 8402-8406. doi: 10.1002/anie.201610727
A thiocarbonyl-containing small molecule for optoelectronics
Gendron, David, Maasoumi, Fatemeh, Armin, Ardalan, Pattison, Katherine, Burn, Paul L., Meredith, Paul, Namdas, Ebinazar B. and Powell, Benjamin J. (2017). A thiocarbonyl-containing small molecule for optoelectronics. RSC Advances, 7 (17), 10316-10322. doi: 10.1039/c7ra00693d
Nourse, H. L., McCulloch, I. P., Janani, C. and Powell, B. J. (2016). Haldane insulator protected by reflection symmetry in the doped Hubbard model on the three-legged ladder. Physical Review B, 94 (21) 214418. doi: 10.1103/PhysRevB.94.214418
Merino, J., Jacko, A. C., Khosla, A. L. and Powell, B. J. (2016). Quasi-one-dimensional spin-orbit-coupled correlated insulator in a multinuclear coordinated organometallic crystal. Physical Review B, 94 (20) 205109. doi: 10.1103/PhysRevB.94.205109
Exact exchange and the density functional theory of metal-to-ligand charge-transfer in fac-Ir(ppy)3
Smith, Arthur R. G., Burn, Paul L. and Powell, Benjamin J. (2016). Exact exchange and the density functional theory of metal-to-ligand charge-transfer in fac-Ir(ppy)3. Organic Electronics, 33, 110-115. doi: 10.1016/j.orgel.2016.02.039
Bond fission and non-radiative decay in iridium(III) complexes
Zhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2016). Bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 55 (11), 5266-5273. doi: 10.1021/acs.inorgchem.6b00219
Breakdown of the universality of the Kadowaki-Woods Ratio in multi-band metals
Cavanagh, D. C., Jacko, A. C. and Powell, B. J. (2015). Breakdown of the universality of the Kadowaki-Woods Ratio in multi-band metals. Physical Review B, 92 (19) 195138. doi: 10.1103/PhysRevB.92.195138
Interplay of zero-field splitting and excited state geometry relaxation in fac-Ir(ppy)3
Gonzalez-Vazquez, Jose P., Burn, Paul L. and Powell, Benjamin J. (2015). Interplay of zero-field splitting and excited state geometry relaxation in fac-Ir(ppy)3. Inorganic Chemistry, 54 (21), 10457-10461. doi: 10.1021/acs.inorgchem.5b01918
Powell, B. J. (2015). Theories of phosphorescence in organo-transition metal complexes - From relativistic effects to simple models and design principles for organic light-emitting diodes. Coordination Chemistry Reviews, 295, 46-79. doi: 10.1016/j.ccr.2015.02.008
Powell, B. J. (2015). Conservation laws, radiative decay rates, and excited state localization in organometallic complexes with strong spin-orbit coupling. Scientific Reports, 5 (1) 10815, 1-11. doi: 10.1038/srep10815
Phase diagram of the spin-1/2 triangular J1-J2 Heisenberg model on a three-leg cylinder
Saadatmand, S. N., Powell, B. J. and McCulloch, I. P. (2015). Phase diagram of the spin-1/2 triangular J1-J2 Heisenberg model on a three-leg cylinder. Physical Review B (Condensed Matter and Materials Physics), 91 (24) 245119, 245119.1-245119.11. doi: 10.1103/PhysRevB.91.245119
Jacko, A. C., Janani, C., Koepernik, Klaus and Powell, B. J. (2015). Emergence of quasi-one-dimensional physics in a nearly-isotropic three-dimensional molecular crystal: ab initio modeling of Mo3 S7(dmit)3. Physical Review B - Condensed Matter and Materials Physics, 91 (12) 125140, 1-5. doi: 10.1103/PhysRevB.91.125140
Haldane phase in the hubbard model at 2/3-filling for the organic molecular compound Mo3 S7 (dmit)3
Janani, C., Merino J., McCulloch, I. P. and Powell, B. J. (2014). Haldane phase in the hubbard model at 2/3-filling for the organic molecular compound Mo3 S7 (dmit)3. Physical Review Letters, 113 (26) 267204, 267204-1-267204-5. doi: 10.1103/PhysRevLett.113.267204
Janani, C., Merino, J., McCulloch, Ian P. and Powell, B. J. (2014). Low-energy effective theories of the two-thirds filled Hubbard model on the triangular necklace lattice. Physical Review B - Condensed Matter and Materials Physics, 90 (3) 035120, 035120-1-035120-10. doi: 10.1103/PhysRevB.90.035120
Merino, Jaime, Holt, Michael and Powell, Ben J. (2014). Spin-liquid phase in a spatially anisotropic frustrated antiferromagnet: a Schwinger boson mean-field approach. Physical Review B - Condensed Matter and Materials Physics, 89 (24) 245112. doi: 10.1103/PhysRevB.89.245112
Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives
Gendron, David, Gann, Eliot, Pattison, Katherine, Maasoumi, Fatemeh, McNeill, Christopher R., Watkins, Scott E., Burn, Paul L., Powell, Benjamin J. and Shaw, Paul E. (2014). Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives. Journal of Materials Chemistry C, 21 (2), 4276-4288. doi: 10.1039/c4tc00427b
Holt, Michael, Powell, Ben J. and Merino, Jaime (2014). Spin-liquid phase due to competing classical orders in the semiclassical theory of the Heisenberg model with ring exchange on an anisotropic triangular lattice. Physical Review B - Condensed Matter and Materials Physics, 89 (17) 174415. doi: 10.1103/PhysRevB.89.174415
Milbradt, S., Bardin, A. A., Truncik, C. J. S., Huttema, W. A., Jacko, A. C., Burn, P. L., Lo, S. -C., Powell, B. J. and Broun, D. M. (2013). In-plane superfluid density and microwave conductivity of the organic superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br: evidence for d-wave pairing and resilient quasiparticles. Physical Review B: Condensed Matter and Materials Physics, 88 (6) 064501, 064501-1-064501-6. doi: 10.1103/PhysRevB.88.064501
Mostert, A. Bernardus, Hanson, Graeme R., Sarna, Tadeusz, Gentle, Ian R., Powell, Benjamin J. and Meredith, Paul (2013). Hydration-controlled X-band EPR spectroscopy: a tool for unravelling the complexities of the solid-state free radical in eumelanin. Journal of Physical Chemistry B, 117 (17), 4965-4972. doi: 10.1021/jp401615e
Mutkins, Karyn, Chen, Simon S. Y., Pivrikas, Almantas, Aljada, Muhsen, Burn, Paul L., Meredith, Paul and Powell, Ben J. (2013). Three-dimensional carbazole-based dendrimers: model structures for studying charge transport in organic semiconductor films. Polymer Chemistry, 4 (4), 916-925. doi: 10.1039/c2py20670f
Schwenn, Paul E., Gui, Ke, Zhang, Yuliang, Burn, Paul L., Meredith, Paul and Powell, Benjamin J. (2012). Kinetics of charge transfer processes in organic solar cells: Implications for the design of acceptor molecules. Organic Electronics, 13 (11), 2538-2545. doi: 10.1016/j.orgel.2012.07.008
Scriven, E. P. and Powell, B. J. (2012). Geometrical frustration in the spin liquid beta'-Me(3)EtSb[Pd(dmit)(2)](2) and the valence-bond solid Me(3)EtP[Pd(dmit)(2)](2). Physical Review Letters, 109 (9) 097206, 097206.1-097206.5. doi: 10.1103/PhysRevLett.109.097206
Role of semiconductivity and ion transport in the electrical conduction of melanin
Mostert, Albertus B., Powell, Benjamin J., Pratt, Francis L., Hanson, Graeme R., Sarna, Tadeusz, Gentle, Ian R. and Meredith, Paul (2012). Role of semiconductivity and ion transport in the electrical conduction of melanin. Proceedings of the National Academy of Sciences of USA, 109 (23), 8943-8947. doi: 10.1073/pnas.1119948109
Bardin, A. A., Burn, P. L., Lo, S.-C. and Powell, B. J. (2012). Superconductivity suppression and peak resistivity enhancement for thin crystals of kappa-(BEDT-TTF)(2)Cu(SCN)(2). Physica Status Solidi B: Basic Solid State Physics, 249 (5), 979-984. doi: 10.1002/pssb.201100711
Powell, Benjamin J., Baruah, Tunna and Pederson, Mark R. (2012). Equivalence of electron-vibration interaction and charge-induced force variations: a new O(1) approach to an old problem. Crystals, 2 (2), 236-247. doi: 10.3390/cryst2020236
Smith, A. R. G., Riley, M. J., Burn, P. L., Gentle, I. R., Lo, S.-C. and Powell, B. J. (2012). Effects of fluorination on iridium(III) complex phosphorescence: Magnetic circular dichroism and relativistic time-dependent density functional theory. Inorganic Chemistry, 51 (5), 2821-2831. doi: 10.1021/ic201899z
On the origin of electrical conductivity in the bio-electronic material melanin
Mostert, A. Bernardus, Powell, Ben J., Gentle, Ian R. and Meredith, Paul (2012). On the origin of electrical conductivity in the bio-electronic material melanin. Applied Physics Letters, 100 (9) 093701, 093701. doi: 10.1063/1.3688491
Spin-orbit coupling in phosphorescent iridium(III) complexes
Smith, Arthur R. G., Burn, Paul L. and Powell, Ben J. (2011). Spin-orbit coupling in phosphorescent iridium(III) complexes. ChemPhysChem, 12 (13), 2429-2438. doi: 10.1002/cphc.201100397
Electronic correlations in organometallic complexes
Jacko, A. C. and Powell, B. J. (2011). Electronic correlations in organometallic complexes. Chemical Physics Letters, 508 (1-3), 22-28. doi: 10.1016/j.cplett.2011.03.090
Quantum frustration in organic Mott insulators: From spin liquids to unconventional superconductors
Powell, B. J. and McKenzie, Ross H. (2011). Quantum frustration in organic Mott insulators: From spin liquids to unconventional superconductors. Reports on Progress in Physics, 74 (5) 056501, 056501.1-056501.60. doi: 10.1088/0034-4885/74/5/056501
Schwenn, P. E., Burn, P. L. and Powell, B. J. (2011). Calculation of solid state molecular ionisation energies and electron affinities for organic semiconductors. Organic Electronics, 12 (2), 394-403. doi: 10.1016/j.orgel.2010.11.025
Relativistic effects in phosphorescent Ir(III) complexes
Smith, A. R. G., Riley, M. J., Lo, S.-C., Burn, P. L., Gentle, I. R. and Powell, B. J. (2011). Relativistic effects in phosphorescent Ir(III) complexes. Physical Review B, 83 (4) 041105, 041105-1-041105-4. doi: 10.1103/PhysRevB.83.041105
A tunable metal-organic resistance thermometer
Stephenson, AP, Micolich, AP, Lee, KH, Meredith, P and Powell, BJ (2011). A tunable metal-organic resistance thermometer. ChemPhysChem, 12 (1), 116-121. doi: 10.1002/cphc.201000762
Models of organometallic complexes for optoelectronic applications
Jacko, A. C., McKenzie, Ross H. and Powell, B. J. (2010). Models of organometallic complexes for optoelectronic applications. Journal of Materials Chemistry, 20 (46), 10301-10307. doi: 10.1039/c0jm01786h
Sensitivity of the photophysical properties of organometallic complexes to small chemical changes
Jacko, A. C., Powell, B. J. and McKenzie, Ross H. (2010). Sensitivity of the photophysical properties of organometallic complexes to small chemical changes. Journal of Chemical Physics, 133 (12 Article # 124314) 124314, 124314.1-124314.13. doi: 10.1063/1.3480981
Competition between superconductivity and weak localization in metal-mixed ion-implanted polymers
Stephenson, Andrew P., Micolich, Adam P., Divakar, Ujjual, Meredith, Paul and Powell, Ben J. (2010). Competition between superconductivity and weak localization in metal-mixed ion-implanted polymers. Physical Review B, 81 (14) 144520, 1-7. doi: 10.1103/PhysRevB.81.144520
Towards quantum chemistry on a quantum computer
Lanyon, B. P., Whitfield, J. D., Gillett, G. G., Goggin, M. E., Almeida, M. P., Kassal, I., Biamonte, J. D., Mohseni, M., Powell, B. J., Barbieri, M., Aspuru-Guzik, A. and White, A. G. (2010). Towards quantum chemistry on a quantum computer. Nature Chemistry, 2 (2), 106-111. doi: 10.1038/NCHEM.483
Gaseous adsorption in melanins: Hydrophilic biomacromolecules with high electrical conductivities
Mostert, A. Bernardus, Davy, Karl J.P., Ruggles, Jeremy L., Powell, Ben J., Gentle, Ian R. and Meredith, Paul (2009). Gaseous adsorption in melanins: Hydrophilic biomacromolecules with high electrical conductivities. Langmuir, 26 (1), 412-416. doi: 10.1021/la901290f
Effective Coulomb interactions within BEDT-TTF dimers
Scriven, Edan and Powell, B. J. (2009). Effective Coulomb interactions within BEDT-TTF dimers. Physical Review B, 80 (20) 205107, 205107-1-205107-9. doi: 10.1103/PhysRevB.80.205107
Powell, B. J., Merino, J. and McKenzie, Ross H. (2009). Ionic Hubbard model on a triangular lattice for Na0.5CoO2, Rb0.5CoO2, and K0.5CoO2: Mean-field slave boson theory. Physical Review B, 80 (8) 085113, 085113-1-085113-19. doi: 10.1103/PhysRevB.80.085113
Spin fluctuations and the pseudogap in organic superconductors
Powell, B. J., Yusuf, Eddy and McKenzie, Ross H. (2009). Spin fluctuations and the pseudogap in organic superconductors. Physical Review B, 80 (5) 054505, 054505.1-054505.7. doi: 10.1103/PhysRevB.80.054505
Merino, Jaime, McKenzie, Ross H. and Powell, B. J. (2009). Electronic and magnetic properties of the ionic Hubbard model on the striped triangular lattice at 3/4 filling. Physical Review B, 80 (4) 045116, 045116.1-045116.12. doi: 10.1103/PhysRevB.80.045116
A unified explanation of the Kadowaki-Woods ratio in strongly correlated metals
Jacko, A. C., Fjaerestad, J. O. and Powell, B. J. (2009). A unified explanation of the Kadowaki-Woods ratio in strongly correlated metals. Nature Physics, 5 (6), 422-425. doi: 10.1038/NPHYS1249
Synthetic routes to new physics
Powell, Ben (2009). Synthetic routes to new physics. Chemistry in Australia, 76, 18-21.
Stephenson, Andrew P., Divakar, Ujjual, Micolich, Adam P., Meredith, Paul and Powell, Ben J. (2009). Preparation of metal mixed plastic superconductors: Electrical properties of tin-antimony thin films on plastic substrates. Journal of Applied Physics, 105 (9) 093909, 093909.1-093909.6. doi: 10.1063/1.3123803
Merino, Jaime, Powell, B. J. and McKenzie, Ross H. (2009). Interplay of frustration, magnetism, charge ordering, and covalency in the ionic Hubbard model for Na0.5 CoO2. Physical Review B, 79 (16) 161103, 161103-1-161103-4. doi: 10.1103/PhysRevB.79.161103
Vertex corrections and the Korringa ratio in strongly correlated electron materials
Yusuf, Eddy, Powell, B. J. and McKenzie, Ross H. (2009). Vertex corrections and the Korringa ratio in strongly correlated electron materials. Journal of Physics: Condensed Matter, 21 (19) 195601, 1-5. doi: 10.1088/0953-8984/21/19/195601
Scriven, Edan and Powell, B. J. (2009). Toward the parametrization of the Hubbard model for salts of bis(ethylenedithio)tetrathiafulvalene: A density functional study of isolated molecules. Journal of Chemical Physics, 130 (10) 104508, 104508.1-104508.10. doi: 10.1063/1.3080543
A phenomenological model of the superconducting state of the Bechgaard salts
Powell, B. J. (2008). A phenomenological model of the superconducting state of the Bechgaard salts. Journal of Physics: Condensed Matter, 20 (34) 345234, 345234-1-345234-5. doi: 10.1088/0953-8984/20/34/345234
Transition dipole strength of eumelanin
Riesz, J. J., Gilmore, J. B., McKenzie, R. H., Powell, B. J., Pederson, M. R. and Meredith, P. (2007). Transition dipole strength of eumelanin. Physical Review E, 76 (2) 021915, 021915-1-021915-10. doi: 10.1103/PhysRevE.76.021915
Yusuf, Eddy, Powell, Benjamin and McKenzie, Ross H. (2007). Antiferromagnetic spin fluctuations in the metallic phase of quasi-two-dimensional organic superconductors. Physical Review B (Condensed Matter and Materials Physics), 75 (21) 214515, 214515-1-214515-11. doi: 10.1103/PhysRevB.75.214515
Convergent Proton-transfer Photocycles Violate Mirror-image Symmetry in a Key Melanin Monomer
Olsen, S. C., Riesz, J., Mahadevan, I., Coutts, A., Bothma, J. P., Powell, B. J., McKenzie, R. H., Smith, S. C. and Meredith, P. (2007). Convergent Proton-transfer Photocycles Violate Mirror-image Symmetry in a Key Melanin Monomer. Journal of The American Chemical Society, 129 (21), 6672-6673. doi: 10.1021/ja069280u
Powell, B. J. and McKenzie, Ross H. (2007). Symmetry of the superconducting order parameter in frustrated systems determined by the spatial anisotropy of spin correlations. Physical Review Letters, 98 (2) 027005, 027005-1-027005-4. doi: 10.1103/PhysRevLett.98.027005
Analytis, James G., Ardavan, Arzhang, Blundell, Stephen J., Owen, Robin L., Garman, Elspeth F., Jeynes, Chris and Powell, Ben J. (2006). Effect of irradiation-induced disorder on the conductivity and critical temperature of the organic superconductor kappa-(BEDT-TTF)(2)Cu(SCN)(2). Physical Review Letters, 96 (17) 177002, 177002.1-177002.4. doi: 10.1103/PhysRevLett.96.177002
Chemical and structural disorder in eumelanins: A possible explanation for broadband absorbance
Tran, M. L., Powell, B. J. and Meredith, P. (2006). Chemical and structural disorder in eumelanins: A possible explanation for broadband absorbance. Biophysical Journal, 90 (3), 743-752. doi: 10.1529/biophysj.105.069096
Merino, J., Powell, B. J. and McKenzie, Ross H. (2006). Ferromagnetism, paramagnetism, and a Curie-Weiss metal in an electron-doped Hubbard model on a triangular lattice. Physical Review B, 73 (23) 235107, 235107. doi: 10.1103/PhysRevB.73.235107
Powell, B. J. (2006). Mixed order parameters, accidental nodes and broken time reversal symmetry in organic superconductors: a group theoretical analysis. Journal of Physics-Condensed Matter, 18 (46) L01, L575-L584. doi: 10.1088/0953-8984/18/46/L01
Strong electronic correlations in superconducting organic charge transfer salts
Powell, B. J. and McKenzie, R. H. (2006). Strong electronic correlations in superconducting organic charge transfer salts. Journal of Physics-condensed Matter, 18 (45) R03, R827-R866. doi: 10.1088/0953-8984/18/45/R03
Superconductivity in metal-mixed ion-implanted polymer films
Micolich, A. P., Tavenner, E., Powell, B. J., Hamilton, A. R., Curry, M. T., Giedd, R. E. and Meredith, P. (2006). Superconductivity in metal-mixed ion-implanted polymer films. Applied Physics Letters, 89 (15) 152503, 152503. doi: 10.1063/1.2358190
Towards structure-property-function relationships for eumelanin
Meredith, P., Powell, B. J., Riesz, J., Nighswander-Rempel, S. P., Pederson, M. R. and Moore, E. G. (2006). Towards structure-property-function relationships for eumelanin. Soft Matter, 2 (1), 37-44. doi: 10.1039/b511922g
Powell, B. J. and McKenzie, Ross H. (2005). Half-Filled Layered Organic Superconductors and the Resonating-Valence-Bond Theory of the Hubbard-Heisenberg Model. Physical Review Letters, 94 (4) 047004, 047004-1-047004-4. doi: 10.1103/PhysRevLett.94.047004
5,6-Dihydroxyindole-2-carboxylic acid: a first principles density functional study
Powell, B. J. (2005). 5,6-Dihydroxyindole-2-carboxylic acid: a first principles density functional study. Chemical Physics Letters, 402 (1-3), 111-115. doi: 10.1016/j.cplett.2004.12.010
Broadband Photon-harvesting Biomolecules for Photovoltaics
Meredith, Paul, Powell, Ben J., Riesz, Jenny, Vogel, Robert, Blake, David, Kartini, Indriani, Will, Geff and Subianto, Surya (2005). Broadband Photon-harvesting Biomolecules for Photovoltaics. Artificial Photosynthesis: From Basic Biology to Industrial Application, 37-65.
Powell, B. J. and McKenzie, Ross H. (2004). On the relationship between the critical temperature and the London penetration depth in layered organic superconductors. Journal of Physics: Condensed Matter, 16 (30), L367-L373. doi: 10.1088/0953-8984/16/30/L03
Powell, B. J., Baruah, T., Burnstein, N., Brake, K., McKenzie, Ross H., Meredith, P. and Pederson, M. R. (2004). A first-principles density-functional calculation of the electronic and vibrational structure of the key melanin monomers. Journal of Chemical Physics, 120 (18), 8608-8615. doi: 10.1063/1.1690758
Application of DFT to melanin monomers, dimers and macromolecules.
Pederson, MR, Bernstein, N, Baruah, T, Powell, BJ, Brake, K and McKenzie, RH (2004). Application of DFT to melanin monomers, dimers and macromolecules.. Abstracts of Papers of The American Chemical Society, 228, U290-U290.
Powell, B. J. and McKenzie, Ross H. (2004). Dependence of the superconducting transition temperature of organic molecular crystals on intrinsically nonmagnetic disorder: a signature of either unconventional superconductivity or the atypical formation of magnetic moments. Physical Review B, 69 (2) 024519, 024519-1-024519-17. doi: 10.1103/PhysRevB.69.024519
First-principle density-functional calculation of the Raman spectra of BEDT-TTF
Brake, K., Powell, B. J., McKenzie, R. H., Pederson, M. R. and Baruah, T. (2004). First-principle density-functional calculation of the Raman spectra of BEDT-TTF. Journal De Physique Iv, 114, 293-295. doi: 10.1051/jp4:2004114063
Competition between disorder and exchange splitting in superconducting ZrZn2
Powell, B. J., Annett, J. F. and Gyorffy, B. L. (2003). Competition between disorder and exchange splitting in superconducting ZrZn2. Journal of Physics-condensed Matter, 15 (14), L235-L241. doi: 10.1088/0953-8984/15/14/102
The gap equations for spin singlet and triplet ferromagnetic superconductors
Powell, B. J., Annett, J. F. and Gyorffy, B. L. (2003). The gap equations for spin singlet and triplet ferromagnetic superconductors. Journal of Physics A: Mathematical and General, 36 (35), 9289-9302. doi: 10.1088/0305-4470/36/35/314
Simulating quantum systems in biology, chemistry, and physics
Lanyon, Benjamin P., Whitfield, James D., Gillett, Geoffrey G., Goggin, Michael E., Almeida, Marcelo P., Kassal, Ivan, Biamonte, Jacob D., Mohseni, Masoud, Powell, Benjamin J., Barbieri, Marco, Aspuru-Guzik, Alan and White, Andrew G. (2011). Simulating quantum systems in biology, chemistry, and physics. 241st National Meeting and Exposition of the American-Chemical-Society (ACS), Anaheim Ca, Mar 27-31, 2011. WASHINGTON: AMER CHEMICAL SOC.
Charge transport properties of carbazole dendrimers in organic field-effect transistors
Mutkins, Karyn, Chen, Simon S. Y., Aljada, Muhsen, Powell, Ben J., Olsen, Seth, Burn, Paul L. and Meredith, Paul (2011). Charge transport properties of carbazole dendrimers in organic field-effect transistors. Conference on Organic Field-Effect Transistors X, San Diego, United States, 22-23 August 2011. Bellingham, WA, United States: S P I E - International Society for Optical Engineering. doi: 10.1117/12.892640
Is melanin a semiconductor: The mysteries of electrical conduction and melanin bioelectronics?
Meredith, P., Mostert, B., Gentle, I. R., Hanson, G., Tandy, K., Namdas, E., Pratt, F. and Powell, B. J. (2011). Is melanin a semiconductor: The mysteries of electrical conduction and melanin bioelectronics?. ipcc2011: International Pigment Cell Conference. Skin and Other Pigment Cells: Bridging Clinical Medicine and Science, Bordeaux, France, 20-24 September 2011. Malden, MA, U.S.A.: Wiley-Blackwell Publishing. doi: 10.1111/j.1755-148X.2011.00885.x
Quantum chemistry on a quantum computer: First steps and prospects
Lanyon, B. P., Whitfield, J. D., Gillett, G. G., Goggin, M. E., Almeida, M. P., Kassal, I., Biamonte, J. D., Mohseni, M., Powell, B. J., Barbieri, M., Aspuru-Guzik, A. and White, A. G. (2009). Quantum chemistry on a quantum computer: First steps and prospects. Laser Science, LS 2009, San Jose, CA, United States, 11 - 15 October 2009. Washington, D.C.: Optical Society of America. doi: 10.1364/fio.2009.jwd3
Pomeranchuk instability: Symmetry-breaking and experimental signatures
Quintanilla, J., Hooley, C., Powell, B. J., Schofield, A. J. and Haque, M. (2008). Pomeranchuk instability: Symmetry-breaking and experimental signatures. SCES2007: International Conference on Strongly Correlated Electron Systems, Houston, TX, USA, 13-18 May, 2007. Amsterdam, Netherlands: Elsevier. doi: 10.1016/j.physb.2007.10.126
Massively parallel simulations on light-induced charge transfer in molecules
Pederson, Mark R., Anderson, W. A., Baruah, Tunna and Powell, B. J. (2006). Massively parallel simulations on light-induced charge transfer in molecules. HPCMP Users Group Conference (HPCMP-UGC'06), Denver CO, United States, 26-29 June 2006. Piscataway, NJ United States: IEEE. doi: 10.1109/HPCMP-UGC.2006.44
Powell, B. J. (2004). The origin of the difference in the superconducting critical temperatures of the beta(H) and beta(L) phases of (BEDT-TTF)(2)I-3. Les Ulis Cedexa: EDP Sciences. doi: 10.1051/jp4:2004114084
The behaviour of a triplet superconductor in a spin only magnetic field
Powell, B. J., Annett, J. F. and Gyorffy, B. L. (2002). The behaviour of a triplet superconductor in a spin only magnetic field. International Conference on Ruthenate and Rutheno-Cuprate Materials, Vietri sul Mare, Italy, 25-27 October 2001. Berlin, Germany: Springer.
Powell, Ben and Ohlrich, Miriam (2020). Example input and output files for DFT+U calculations on a set of iron-based spin crossover materials done in VASP. The University of Queensland. (Dataset) doi: 10.14264/e619afa
When is the Kadowaki-Woods ratio universal?: Supplementary Material
Cavanagh, D. C., Jacko, A. C. and Powell, B. J. (2015). When is the Kadowaki-Woods ratio universal?: Supplementary Material. The University of Queensland. (Dataset)
Switching, sensing and multifunctionality in spin crossover materials
(2023–2026) ARC Discovery Projects
(2020–2023) University of Sydney
2D or not 2D? Beyond the standard model of organic quantum spin liquids
(2018–2021) ARC Discovery Projects
Advanced X-ray Facility for Structural Elucidation and Photocrystallography
(2017) ARC Linkage Infrastructure, Equipment and Facilities
Emergent quantum matter in multinuclear coupled coordination clusters
(2016–2019) ARC Discovery Projects
Advanced Superfluid Physics Facility
(2015–2016) UQ Major Equipment and Infrastructure
Quantum phases of matter driven by strong electronic correlations in complex molecular crystals
(2014–2018) ARC Future Fellowships
Facility for fabrication and characterisation of micro/nano-optoelectronic devices
(2014) UQ Major Equipment and Infrastructure
Trouble at the bottom: Exploring the limits of Fermi liquid theory through dimensionless ratios
(2013–2016) ARC Discovery Projects
Computer Modelling for Development of Phosphorescent Iridium (III)
(2013–2014) UniQuest Pty Ltd
(2012–2015) ARC LIEF Collaborating/Partner Organisation Contributions
(2012–2014) CSIRO Flagships Collaboration Fund
ResTeach 2011 0.2 FTE School of Mathematics and Physics
(2011–2013) UQ ResTeach
(2010–2012) ARC Discovery Projects
Strongly correlated electron models for organic superconductors
(2008–2012) ARC Discovery Projects
Organic superconductors: from synthesis to neutron scattering to theory
(2008–2010) UQ Foundation Research Excellence Awards - DVC(R) Funding
(2008) University of New South Wales
First principles parameterisation of minimal models of strongly correlated systems
(2007–2008) UQ Early Career Researcher
Quantum states of matter: from spin liquids to superconductors
(2005–2008) ARC Discovery Projects
Emergent properties of oxides and biomolecules
(2005–2007) UQ New Staff Research Start-Up Fund
Ion Implanted Polymers as New Plastic Electronic and Superconducting Materials
(2005–2007) ARC Discovery Projects
(2004–2007) ARC Linkage International
Theories of strongly correlated electrons in metal-organic frameworks
Doctor Philosophy — Principal Advisor
New Methods for Strongly Correlated Electrons in Chemically Complex Materials
Doctor Philosophy — Principal Advisor
Other advisors:
The role of spin-orbit coupling in spin crossover materials
Doctor Philosophy — Principal Advisor
Other advisors:
Stimuli Responsive Single Molecule Switches
Doctor Philosophy — Principal Advisor
Other advisors:
Emergence of fractionalised quasiparticles in spin-crossover materials
Doctor Philosophy — Principal Advisor
Thermodynamic properties of atomic defects for quantum technologies
Doctor Philosophy — Associate Advisor
Other advisors:
Computer-aided material discovery for light-emitting materials in OLEDs
Doctor Philosophy — Associate Advisor
First principles calculations of defects in solids for quantum technologies
Doctor Philosophy — Associate Advisor
Other advisors:
Is the superconducting phase compact or not?
Doctor Philosophy — Associate Advisor
Other advisors:
Collective Dynamics of Trapped Excited Spin-States in Spin Crossover Materials.
(2023) Doctor Philosophy — Principal Advisor
Other advisors:
Emergent behaviours in spin crossover materials
(2023) Doctor Philosophy — Principal Advisor
Other advisors:
Investigating first-principle modelling of the electronic structure in metal-organic frameworks
(2023) Master Philosophy — Principal Advisor
Magnetic Raman scattering in quasi-one-dimensional antiferromagnets
(2023) Doctor Philosophy — Principal Advisor
Spin-molecular orbital coupling in multi-nuclear organometallic complexes
(2023) Doctor Philosophy — Principal Advisor
Emergent Phenomena in Spin Crossover Systems
(2021) Doctor Philosophy — Principal Advisor
(2020) Doctor Philosophy — Principal Advisor
(2020) Doctor Philosophy — Principal Advisor
Other advisors:
New insights into experiments on unconventional superconductors
(2019) Doctor Philosophy — Principal Advisor
Mo3S7(dmit)3: From material to models
(2015) Doctor Philosophy — Principal Advisor
Low energy effective Hamiltonians for strongly-correlated organic metals
(2011) Doctor Philosophy — Principal Advisor
Other advisors:
Novel Conducting and Superconducting Polymers for Organic Electronics
(2010) Doctor Philosophy — Principal Advisor
Theory of Delocalised Charge Transfer
(2019) Doctor Philosophy — Associate Advisor
Theory of Charge Separation in Organic Solar Cells
(2018) Doctor Philosophy — Associate Advisor
Effective Models for the Photophysical Properties of Organometallic Complexes
(2012) Doctor Philosophy — Associate Advisor
Other advisors:
(2011) Doctor Philosophy — Associate Advisor
Other advisors:
Charge Transport in Eumelanin
(2009) Master Philosophy — Associate Advisor
(2008) Master Philosophy — Associate Advisor
The spectroscopic properties of melanin
() Doctor Philosophy — Associate Advisor
Other advisors:
Note for students: The possible research projects listed on this page may not be comprehensive or up to date. Always feel free to contact the staff for more information, and also with your own research ideas.
New types of particles in spin-crossover materials
Condensed matter physicists sometimes pity our colleagues in high-energy physics. They are limited to studying a single vacuum and its excitations: the particles of the standard model. For condensed matter physicists every new phase of matter brings a new ‘vacuum’. Remarkably the low-energy excitations of these new vacua can be very different from the individual electrons, protons and neutrons that constitute the material. The condensed matter multiverse contains universes where the particle-like excitations carry only a fraction of the elementary electronic charge are magnetic monopole, or are their own antiparticle. None of these properties have ever been observed in the particles found in free space. Often emergent gauge fields accompany these ‘fractionalized’ particles, just as electromagnetic gauge fields accompany charged particles.
In this project you will discover the nature of the particles that emerge a recently phase of matter – the spin-state ice – that is predicted to occur in spin crossover materials. You will develop new theories of these materials and seek to discover other exotic phases in them.
Some molecules are magnetic. Others are not. Spin-crossover molecules are unusual because they can be switched between magnetic (high-spin) and non-magnetic (more generally, low-spin) states by temperature, pressure, chemical environment, or irradiation by light. Furthermore, materials containing spin-crossover molecules can display phase transitions between states with different spatial patterns of molecules with high- and low-spin that have similarities to emergent states with magnetic, orbital and charge ordering, such as antiferromagnetism.
The fundamental question you will investigate is: why does this happen? This will require the application of state-of-the-art computational methodologies to describe the quantum behavior of the electrons in these materials. Importantly, the electrons interact strongly with one another in these systems. This means that the behaviors are collective and the standard approaches to chemistry, where we treat each electron independently, fail miserably. Instead you will use supercomputers to model the collective physics.
Design and control of quantum materials: metal organic frameworks (MOFs)
Materials are vital for modern technology. Our understanding and control of the physics of silicon enabled the digital revolution. But electron-electron interactions are not important for the physics of silicon. In many other materials quantum mechanical electron-electron interactions determine the properties of the materials. These quantum materials show amazing properties such as high temperature superconductivity and sometime have excitations that are very different from the properties of the vacuum [1]. If we could routinely design and control quantum materials it would revolutionise technologies from electricity distribution to computing. But currently we have very limited abilities to design quantum materials. A new class of materials, MOFs, may be the key to enabling the rational design of quantum materials. Several projects are available in this area using techniques varying from supercomputer calculations to pen and paper theory to help change this in collaboration with world leading synthetic chemists and experimental physicists.
[1] B. J. Powell, The expanding materials multiverse, Science 360, 1074 (2018)
Can we design a room temperature, ambient pressure superconductor?
A room temperature, ambient pressure superconductor would change the world. We could plant "farms" of solar panels in the outback and losslessly transport the energy generated to capital cities and Asia, dramatically lowering the cost of power generation. But the world record for the highest temperature ambient pressure superconductor hasn't increased in decades.
However, new types of materials have recently emerged that can be clicked together like lego. This offers us the chance to design new materials with taylored propoerties from the ground up. However, doing so is a formidable theoretical challenge that requires understanding the quantum mechanical behaviours of 10^23 electrons simulatneously? In this project you will develop and apply new theoretical techniques to attack this problem.