877 citations · 2.9k across the 44 of their papers we have counts for
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Orbital breathing effects in the computation of x-ray d-ion spectra in solids by ab initio wave-function-based methods
Nikolay A. Bogdanov, Valentina Bisogni, Roberto Kraus +8
In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or…
Strong magnetic frustration and anti-site disorder causing spin-glass behavior in honeycomb Li2RhO3
Vamshi M. Katukuri, Satoshi Nishimoto, Ioannis Rousochatzakis +3
With large spin-orbit coupling, the electron configuration in -metal oxides is prone to highly anisotropic exchange interactions and exotic magnetic properties. In $5…
Strongly frustrated triangular spin lattice emerging from triplet dimer formation in honeycomb Li2IrO3
Satoshi Nishimoto, Vamshi M. Katukuri, Viktor Yushankhai +5
In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, has not been observed in any 3D or quasi-2D material. With thi…
Tuning Magnetic Coupling in SrIrO Thin Films with Epitaxial Strain
A. Lupascu, J. P. Clancy, H. Gretarsson +16
We report x-ray resonant magnetic scattering (XRMS) and resonant inelastic x-ray scattering (RIXS) studies of epitaxially-strained thin films. The films were g…
CaIrO3 post-perovskite, a j = 1/2 quasi-one-dimensional antiferromagnet
Nikolay A. Bogdanov, Vamshi M. Katukuri, Hermann Stoll +2
The 5d5 iridate CaIrO3 is isostructural with the post-perovskite phase of MgSiO3, recently shown to occur under extreme pressure in the lower Earth's mantle. It therefore serves as…
Wave-function-based approach to quasiparticle bands: new insight into the electronic structure of c-ZnS
A. Stoyanova, L. Hozoi, P. Fulde +1
Ab initio wave-function-based methods are employed for the study of quasiparticle energy bands of zinc-blende ZnS, with focus on the Zn 3d "semicore" states. The relative energies…