Strongly Correlated Physics in Chemically Complex Materials

Publications

Preprints

Equivalence of elastic and Ising models for spin crossover materials
G. Ruzzi, J. Cruddas, R. H. McKenzie, and B. J. Powell

2022

Toward High Temperature Light-Induced Spin State Trapping in Spin Crossover materials: the Interplay of Collective and Molecular Effects
M. Nadeem, J. Cruddas, G. Ruzzi, and B. J. Powell
C3 symmetry breaking metal-insulator transitions near a flat band in the half-filled Hubbard model on the decorated honeycomb lattice
H. L. Nourse, R. H. McKenzie, and B. J. Powell
Regulation of Multistep Spin Crossover Across Multiple Stimuli in a 2-D Framework Material
M. Ahmed, K. A. Zenere, N. F. Sciortino, K. S. A. Arachchige, G. F. Turner, J. Cruddas, C. Hua, J. R. Price, J. K. Clegg, F. J. Valverde-Muñoz, J. A. Real, G. Chastanet, S. A. Moggach, C. J. Kepert, B. J. Powell, and S. M. Neville

2021

x-[Pd(dmit)2]2 as a quasi-1D, scalene Heisenberg model
E. P. Kenny, A. C. Jacko, and B. J. Powell
Spin-0 Mott insulator to metal to spin-1 Mott insulator transition in the single-orbital Hubbard model on the decorated honeycomb lattice
H. L. Nourse, R. H. McKenzie, and B. J. Powell
Multiple Coulomb phases with temperature tunable ice rules in pyrochlore spin crossover materials
J. Cruddas and B. J. Powell
The princess and the pea: on the outsized role of inter-layer ligands in copper-pyrazine antiferromagnets
E. P. Kenny, A. C. Jacko, and B. J. Powell
Inorg. Chem. doi:10.1021/acs.inorgchem.1c00532 (2021).
Spin-state smectics in spin crossover materials
J. Cruddas, G. Ruzzi, and B. J. Powell
Unconventional superconductivity near a flat band in organic and organometallic materials
J. Merino, M. Fernandez Lopez, and B. J. Powell
Spin-Crossover 2-D Hofmann Frameworks Incorporating an Amide-Functionalized Ligand: N-(Pyridin-4-Yl)Benzamide
X. Ong, M. Ahmed, L. Xu, A. T. Brennan, C. Hua, K. A. Zenere, Z. Xie, C. J. Kepert, B. J. Powell and S. M. Neville
Fate of the Hebel-Slichter peak in superconductors with strong antiferromagnetic fluctuations
D. C. Cavanagh and B. J. Powell
Quasi-one dimensional magnetic interactions in the three-dimensional hyper-honeycomb framework [(C2H5)3NH]2Cu2(C2O4)3
A. C. Jacko and B. J. Powell
Hierarchical Spin‐Crossover Cooperativity in Hybrid 1‐D Chains of FeII‐1,2,4‐trizole Trimers Linked by [Au(CN)2]‐ Bridges
L. Ezzedinloo, K. A. Zenere, Z. Xie, M. Ahmed, S. Scottwell, M. Bhadbhade, H. E. A. Brand, J. K. Clegg, C. Hua, N. F. Sciortino, L. C. Parker, B. J. Powell, C. J. Kepert and S. M. Neville
Multiple insulating phases due to the interplay of strong correlations and lattice geometry in a single-orbital Hubbard model
H. L. Nourse, R. H. McKenzie, and B. J. Powell
Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover
M. Ahmed, H. E. A. Brand, V. K. Peterson, J. K. Clegg, C. J. Kepert, J. R. Price, B J. Powell, and S. M. Neville

2020

Quantitative calculations for the non-radiative rate of phosphorescent iridium(III) complexes
X. Zhou and B. J. Powell
Phys. Chem. Chem. Phys. 22, 27348-27356 (2020).
Invited contribution to featured collection on Quantum Theory: The challenge of Transition Metal Complexes
Structure-property relationships and the mechanisms of multistep transitions in spin crossover materials and frameworks
J. Cruddas and B. J. Powell
Emergent particles and gauge fields in quantum matter
B. J. Powell
Fast, Accurate Enthalpy Differences in Spin Crossover Crystals from DFT+U
M. Ohlrich and B. J. Powell
Frustration, ring exchange, and the absence of long-range order in EtMe3Sb[Pd(dmit)2]2: from first principles to many-body theory
E. P. Kenny, G. David, N. Ferré, A. C. Jacko, and B. J. Powell
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
A. C. Jacko, E. P. Kenny, and B. J. Powell

2019

Spin-state ice in elastically frustrated spin-crossover materials
J. Cruddas and B. J. Powell
Mechanomagnetics in elastic crystals: insights from [Cu(acac)2]
E. P. Kenny, A. C. Jacko, and B. J. Powell
Umklapp scattering in unconventional superconductors: Microwave conductivity shows that κ-(BEDT-TTF)2Cu[N(CN)2]Br is a dxy superconductor
D. C. Cavanagh and B. J. Powell

2018

Spin molecular-orbit coupling and magnetic properties of the decorated honeycomb layers of Mo3S7(dmit)3 crystals
J. Merino, A. C. Jacko, A. Khosla, A. Ralko, and B. J. Powell
Non-radiative decay and stability of N-heterocyclic carbene iridium(III) complexes
X. Zhou and B. J. Powell
The expanding materials multiverse
B. J. Powell
Magnetic Excitations of the Cu2+ Quantum Spin Chain in Sr3CuPtO6
J. C. Leiner, J. Oh, A. I. Kolesnikov, M. B. Stone, M. D. Le, E. P. Kenny, B. J. Powell, M. Mourigal, E. E. Gordon, M.-H. Whangbo, J.-W. Kim, S.-W. Cheong, and J.-G. Park
Nuclear Magnetic Resonance in Low-Symmetry Superconductors
D. C. Cavanagh and B. J. Powell

2017

Balance in strongly correlated itinerant electron systems: An extension of Nagaoka's theorem
B. J. Powell
Effects of anisotropy in spin molecular-orbital coupling on effective spin models of trinuclear organometallic complexes
J. Merino, A. C. Jacko, A. L. Khosla, and B. J. Powell
Dynamical reduction of the dimensionality of exchange interactions and the "spin-liquid" phase of κ-(BEDT-TTF)2X
B. J. Powell, E. P. Kenny, and J. Merino
Effect of n-Propyl Substituents on the Emission Properties of Blue Phosphorescent Iridium(III) Complexes
X. Zhou, P. L. Burn, and B. J. Powell
Spin-orbit coupling in Mo3S7(dmit)3
A. C. Jacko, A. L. Khosla, J. Merino, and B. J. Powell
Heisenberg and Dzyaloshinskii-Moriya interactions controlled by molecular packing in tri-nuclear organometallic clusters
B. J. Powell, J. Merino, A. L. Khosla, and A. C. Jacko
Spin-orbit coupling and strong electronic correlations in cyclic molecules
A. L. Khosla, A. C. Jacko, J. Merino, and B. J. Powell
Editor's Suggestion
A thiocarbonyl-containing small molecule for optoelectronics
D. Gendron, F. Maasoumi, A. Armin, K. Pattison, P. L. Burn, P. Meredith, E. Namdas, and B. J. Powell
Elucidating the spatial arrangement of emitter molecules in organic light-emitting diode films
C. Tonnelé, B. Caron, A. J. Clulow, A. K. Malde, M. Stroet, P. L. Burn, A. E. Mark, and B. J. Powell

2016

Haldane insulator protected by reflection symmetry in the doped Hubbard model on the three-legged ladder
H. L. Nourse, I. P. McCulloch, C. Janani, and B. J. Powell
Quasi-one-dimensional spin-orbit-coupled correlated insulator in a multinuclear coordinated organometallic crystal
J. Merino, A. C. Jacko, A. L. Khosla, and B. J. Powell
Bond Fission and Non-Radiative Decay in Iridium(III) Complexes
X. Zhou, P. L. Burn, and B. J. Powell
Exact exchange and the density functional theory of metal-to-ligand charge-transfer in fac-Ir(ppy)3
A. R. G. Smith, P. L. Burn, and B. J. Powell
Understanding Melanin: A Nano Based Material for the Future
A. B. Mostert, P. Meredith, B. J. Powell, I. R. Gentle, G. R. Hanson, and F. L. Pratt
In 'Nanomaterials: Science and Applications', edited by D. M. Kane, A. P. Micolich and P. Roger (Taylor & Francis, Boca Raton, 2016).

2015

Breakdown of the universality of the Kadowaki-Woods Ratio in multi-band metals
D. C. Cavanagh, A. C. Jacko, and B. J. Powell
Interplay of zero-field splitting and excited state geometry relaxation in fac-Ir(ppy)3
J. P. González-Vázquez, P. L. Burn, and B. J. Powell
Phase Diagram of the Spin-1/2 Triangular J1-J2 Heisenberg Model on a 3-leg Cylinder
S. N. Saadatmand, B. J. Powell, and I. P. McCulloch
Conservation laws, radiative decay rates, and excited state localization in organometallic complexes with strong spin-orbit coupling
B. J. Powell
Emergence of quasi-one-dimensional physics in Mo3S7(dmit)3, a nearly-isotropic three-dimensional molecular crystal
A. C. Jacko, C. Janani, K. Koepernik, and B. J. Powell
Theories of phosphorescence in organo-transition metal complexes - from relativistic effects to simple models and design principles for organic light-emitting diodes
B. J. Powell

2014

Haldane Phase in the Hubbard Model at 2/3-Filling for the Organic Molecular Compound Mo3S7(dmit)3
C. Janani, J. Merino, I. P. McCulloch, and B. J. Powell
Low-energy effective theories of the two-thirds filled Hubbard model on the triangular necklace lattice
C. Janani, J. Merino, I. P. McCulloch, and B. J. Powell
Spin liquid phase in a spatially anisotropic frustrated antiferromagnet: A Schwinger boson mean-field approach
J. Merino, M. Holt, and B. J. Powell
Spin liquid phase in the semiclassical theory of the Heisenberg model on an anisotropic triangular lattice with ring exchange
M. Holt, B. J. Powell, and J. Merino
Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives
D. Gendron, E. Gann, K. Pattison, F. Maasoumi, C. R. McNeill, S. E. Watkins, P. L. Burn, B. J. Powell, and P. E. Shaw

2013

In-plane superfluid density and microwave conductivity of the organic superconductor κ-(BEDT-TTF)2Cu[N(CN)2]Br: evidence for d-wave pairing and resilient quasiparticles
S. Milbradt, A. A. Bardin, C. J. S. Truncik, W. A. Huttema, A. C. Jacko, P. L. Burn, S.-C. Lo, B. J. Powell, and D. M. Broun
Hydration-Controlled X-Band EPR Spectroscopy: A Tool for Unravelling the Complexities of the Solid-State Free Radical in Eumelanin
A. B. Mostert, G. R. Hanson, T. Sarna, I. R. Gentle, B. J. Powell, and P. Meredith
Three-dimensional Carbazole-based Dendrimers: Model Structures for Studying Charge Transport in Amorphous Films
K. Mutkins, S. S. Y. Chen, A. Pivrikas, M. Aljada, P. L. Burn, P. Meredith, and B. J. Powell

2012

Geometrical frustration in the spin liquid β'-Me3EtSb[Pd(dmit)2]2 and the valence bond solid Me3EtP[Pd(dmit)2]2
E. P. Scriven and B. J. Powell
Kinetics of Charge Transfer Processes in Organic Solar Cells: Implications for the Design of Acceptor Molecules
E. P. Schwenn, K. Gui, Y. Zhang, P. L. Burn, P. Meredith, and B. J. Powell
On the origin of electrical conductivity in the bio-electronic material melanin
A. B. Mostert, B. J. Powell, F. L. Pratt, G. R. Hanson, T. Sarna, I. R. Gentle, and P. Meredith
Electron-phonon coupling as an order-one problem
B. J. Powell, M. R. Pederson and T. Baruah
On the origin of electrical conductivity in the bio-electronic material melanin
A. B. Mostert, B. J. Powell, I. R. Gentle, and P. Meredith
Effects of Fluorination on Iridium(III) Complex Phosphorescence: Magnetic Circular Dichroism and Relativistic Time-Dependent Density Functional Theory
A. R. G. Smith, M. J. Riley, P. L. Burn, I. R. Gentle, S.-C. Lo, and B. J. Powell
Superconductivity suppression and peak resistivity enhancement for thin crystals of κ-(BEDT-TTF)2Cu(SCN)2
A. Bardin, P. L. Burn, S.-C. Lo, and B. J. Powell

2011

Spin-orbit coupling in phosphorescent Ir(III) complexes
A. R. G. Smith, P. L. Burn, and B. J. Powell
Electronic correlations in organometallic complexes
A. C. Jacko and B. J. Powell
Quantum frustration in organic Mott insulators: from spin liquids to unconventional superconductors
B. J. Powell and R. H. McKenzie
An introduction to effective low-energy Hamiltonians in condensed matter physics and chemistry
B. J. Powell
Relativistic Effects in a phosphorescent Ir(III) complex
A. R. G. Smith, M. J. Riley, S.-C. Lo, P. L. Burn, I. R. Gentle, and B. J. Powell
Calculation of solid state molecular ionisation energies and electron affinities for organic semiconductors
E. P. Schwenn, P. L. Burn, and B. J. Powell
A tunable metal-organic resistance thermometer
A. P. Stephenson, A. P. Micolich, K. Lee, P. Meredith, and B. J. Powell

2010

Models of organometallic complexes for optoelectronic applications
A. C. Jacko, Ross H. McKenzie, and B. J. Powell
Sensitivity of the photo-physical properties of organometallic complexes to small chemical changes
A. C. Jacko, B. J. Powell, Ross H. McKenzie
Competition between Superconductivity and Weak Localization in Metal-Mixed Ion-Implanted Polymers
A. P. Stephenson, A. P. Micolich, U. Divakar, P. Meredith, and B. J. Powell
Towards molecular energy calculations on a quantum computer
B. P. Lanyon, J. D. Whitfield, G. G. Gillet, M. E. Goggin, M. P. Almeida, I. Kassal, J. D. Biamonte, M. Mohseni, B. J. Powell, M. Barbieri, A. Aspuru-Guzik, and A. G. White
Gaseous Adsorption in Melanins: Hydrophilic Biomacromolecules with High Electrical Conductivities
A. B. Mostert, K. J. P. Davy, J. L. Ruggles, B. J. Powell, I. R. Gentle, and P. Meredith

2009

Effective Coulomb interactions within BEDT-TTF dimers
E. Scriven and B. J. Powell
Ionic Hubbard model on a triangular lattice for Na0.5CoO2, Rb0.5CoO2 and K0.5CoO2: Mean-field slave boson theory
B. J. Powell, J. Merino, and R. H. McKenzie
Spin Fluctuations and the Pseudogap in Organic Superconductors
B. J. Powell, E. Yusuf, and R. H. McKenzie
Electronic and magnetic properties of the ionic Hubbard model on the striped triangular lattice at 3/4 filling
J. Merino, R. H. McKenzie, and B. J. Powell
Synthetic routes to new physics
B. J. Powell
A unified explanation of the Kadowaki-Woods ratio in strongly correlated metals
A. C. Jacko, J. O. Fjaerestad, and B. J. Powell
Preparation of Metal Mixed Plastic Superconductors: Electrical Properties of Tin-Antimony Thin Films on Plastic Substrates
A. P. Stephenson, U. Divakar, A. P. Micolich, P. Meredith, and B. J. Powell
Interplay of frustration, magnetism, charge ordering, and covalency in a model of Na0.5CoO2
J. Merino, B. J. Powell, and R. H. McKenzie
Vertex Corrections and the Korringa Ratio in Strongly Correlated Electron Materials
E. Yusuf, B. J. Powell, and R. H. McKenzie
Toward the parametrization of the Hubbard model for salts of bis(ethylenedithio)tetrathiafulvalene: A density functional study of isolated molecules
E. Scriven and B. J. Powell

2008

A phenomenological model of the superconducting state of the Bechgaard salts
B. J. Powell
Pomeranchuk instability: symmetry breaking and experimental signatures
J. Quintanilla, C. Hooley, B. J. Powell, A. J. Schofield and M. Haque

2007

Transition dipole strength of eumelanin
J. J. Riesz, J. B. Gilmore, R. H. McKenzie, B. J. Powell, M. R. Pederson, and P. Meredith
Antiferromagnetic Spin Fluctuations in the Metallic Phase of Quasi-Two-Dimensional Organic Superconductors
E. Yusuf, B. J. Powell, and R. H. McKenzie
Convergent Proton Transfer Photocycles Violate Mirror Image Symmetry in a Key Melanin Monomer
S. Olsen, J. Riesz, I. Mahadevan, A. Coutts, J. Bothma, B.J. Powell, R. H. McKenzie, S.C. Smith and P. Meredith
Symmetry of the Superconducting Order Parameter in Frustrated Systems Determined by the Spatial Anisotropy of Spin Correlations
B. J. Powell and R. H. McKenzie

2006

Mixed order parameters, accidental nodes and broken time reversal symmetry in organic superconductors: a group theoretical analysis
B. J. Powell
Strong electronic correlations in superconducting organic charge transfer salts
B. J. Powell and R. H. McKenzie
Superconductivity in Metal-mixed Ion-Implanted Polymer Films
A. P. Micolich, E. Tavenner, B. J. Powell, A. R. Hamilton, M. T. Curry, R. E. Giedd and P. Meredith
Ferromagnetism, paramagnetism and a Curie-Weiss metal in an electron doped Hubbard model on a triangular lattice
J. Merino, B.J. Powell and R.H. McKenzie
The effect of irradiation-induced disorder on the conductivity and critical temperature of the organic superconductor κ-(BEDT-TTF)2Cu(SCN)2
J. G. Analytis, A. Ardavan, S. J. Blundell, R. L. Owen, E. F. Garman, C. Jeynes, and B. J. Powell
Towards Structure-Property-Function Relationships for Eumelanin
P. Meredith, B. J. Powell, J. Riesz, S. Nighswander-Rempel, M. R. Pederson and E. Moore
Chemical and Structural Disorder in Eumelanins - A Possible Explanation for Broad Band Absorbance
M. L. Tran, B. J. Powell and P. Meredith

2005

Half-Filled Layered Organic Superconductors and the Resonating-Valence-Bond Theory of the Hubbard-Heisenberg Model
B. J. Powell and R.H. McKenzie
5,6-dihydroxyindole-2-carboxylic acid (DHICA): a First Principles Density-Functional Study
B. J. Powell
Broad Band Photon Harvesting Biomolecules for Photovoltaics
P. Meredith, B. J. Powell, J. Riesz, R. Vogel, D. Blake, I. Kartini, G. Will and S. Subianto
In Artificial Photosynthesis: From Basic Biology to Industrial Application (Wiley, Chichester, 2005) C. Critchley and A. Collings (Eds.)

2004

A First Principles Density-Functional Calculation of the Electronic and Vibrational Structure of the Key Melanin Monomer
B. J. Powell, T. Baruah, N. Bernstein, K. Brake, R. H. McKenzie, P. Meredith and M. R. Pederson
On the Relationship Between the Critical Temperature and the London Penetration Depth in Layered Organic Superconductors
B. J. Powell and R. H. McKenzie
First-principles density-functional calculation of the Raman spectra of BEDT-TTF
K. Brake, B. J. Powell, R. H. McKenzie, M. R. Pederson and T. Baruah
The origin of the difference of the superconducting critical temperatures of the βH and βL phases of β-(BEDT-TTF)2I3
B. J. Powell
Dependence of the Superconducting Transition Temperature of Organic Molecular Crystals on Intrinsically Non-Magnetic Disorder: a Signature of either Unconventional Superconductivity or Atypical Local Magnetic Moment Formation
B. J. Powell and R. H. McKenzie

2003

The gap equations for spin singlet and triplet ferromagnetic superconductors
B. J. Powell, J. F. Annett and B. L. Györffy
Competition Between Disorder and Exchange Splitting in Superconducting ZrZn2
B. J. Powell, J. F. Annett and B. L. Györffy

2002

FThe Behaviour of a Triplet Superconductor in a Spin Only Magnetic Field
B. J. Powell, J. F. Annett and B. L. Györffy
In Ruthenate and Rutheno-Cuprate Materials: Unconventional Superconductivity, Magnetism and Quantum Phase Transitions Springer Lecture Notes in Physics. 603 C. Noce, A. Vecchione, M. Cuoco, A. Romano (Eds.) (Springer, Berlin, 2002).