Models and materials for generalized Kitaev magnetism

SM Winter, AA Tsirlin, M Daghofer… - Journal of Physics …, 2017 - iopscience.iop.org
The exactly solvable Kitaev model on the honeycomb lattice has recently received
enormous attention linked to the hope of achieving novel spin-liquid states with …

Understanding doping of quantum materials

A Zunger, OI Malyi - Chemical reviews, 2021 - ACS Publications
Doping mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the
enabling step in the electronic and optoelectronic revolutions. The recent emergence of a …

False metals, real insulators, and degenerate gapped metals

OI Malyi, A Zunger - Applied Physics Reviews, 2020 - pubs.aip.org
This paper deals with a significant family of compounds predicted by simplistic electronic
structure theory to be metals but are, in fact, insulators. This false metallic state has been …

Coulomb correlations in 4d and 5d oxides from first principles—or how spin–orbit materials choose their effective orbital degeneracies

C Martins, M Aichhorn, S Biermann - Journal of Physics …, 2017 - iopscience.iop.org
The interplay of spin–orbit coupling and Coulomb correlations has become a hot topic in
condensed matter theory and is especially important in 4d and 5d transition metal oxides …

A'–B Intersite Cooperation-Enhanced Water Splitting in Quadruple Perovskite Oxide CaCu3Ir4O12

X Ye, S Song, L Li, YC Chang, S Qin, Z Liu… - Chemistry of …, 2021 - ACS Publications
Developing highly efficient electrochemical catalysts and exploring the basic mechanisms
for the oxygen evolution reaction (OER) are key issues for the large-scale commercialization …

Cubic symmetry and magnetic frustration on the fcc spin lattice in

N Khan, D Prishchenko, Y Skourski, VG Mazurenko… - Physical Review B, 2019 - APS
Cubic crystal structure and regular octahedral environment of Ir 4+ render antifluorite-type K
2 IrCl 6 a model fcc antiferromagnet with a combination of Heisenberg and Kitaev exchange …

Recent Advances in Perovskite Oxides Electrocatalysts: Ordered Perovskites, Cations Segregation and Exsolution

CJ Fu, Q Ma, L Gao, S Li - ChemCatChem, 2023 - Wiley Online Library
Perovskite oxides have been widely confirmed as a promising alternative to precious metals
as catalysts for a wide range of environmental protection, energy storage, and conversion …

Compensation temperatures and exchange bias in

LT Coutrim, EM Bittar, F Stavale, F Garcia… - Physical Review B, 2016 - APS
We report on the study of magnetic properties of the La 1.5 Ca 0.5 CoIrO 6 double
perovskite. Via ac magnetic susceptibility we have observed evidence of weak …

Spin-orbit coupling effects on the stability of two competing structures in Pb/Si (111) and Pb/Ge (111)

XY Ren, HJ Kim, S Yi, Y Jia, JH Cho - Physical Review B, 2016 - APS
Using first-principles density-functional theory (DFT) calculations with/without including the
spin-orbit coupling (SOC), we systematically investigate the (4/3)-monolayer structure of Pb …

Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra

M Ye, HS Kim, JW Kim, CJ Won, K Haule, D Vanderbilt… - Physical Review B, 2018 - APS
We report ab initio density functional theory calculation and Raman scattering results to
explore the electronic structure of Ba 5 CuIr 3 O 12 single crystals. This insulating iridate …