44 citations · 152 across the 8 of their papers we have counts for
9 papers
Superexchange interactions between spin-orbit-coupled ions in oxides with face-sharing ligand octahedra
Lei Xu, Ravi Yadav, Viktor Yushankhai +3
Using ab initio wave-function-based calculations, we provide valuable insights with regard to the magnetic exchange in 5 and 4 oxides with face-sharing ligand octahedra, BaIr…
Comment on `Oxygen vacancy-induced magnetic moment in edge-sharing CuO chains of LiCuO'
R. O. Kuzian, R. Klingeler, W. E. A. Lorenz +23
In a recent work devoted to the magnetism of LiCuO, Shu et al. [New J. Phys. 19 (2017) 023026] have proposed a "simplified" unfrustrated microscopic model that differs…
Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2IrO4
Vamshi M. Katukuri, Viktor Yushankhai, Liudmila Siurakshina +3
By ab initio many-body quantum chemistry calculations, we determine the strength of the symmetric anisotropy in the 5 j 1/2 layered material BaIrO. While the…
Theory of resonant inelastic X-ray scattering in vanadium oxides: how to detect - excitations?
V. Yushankhai, L. Siurakshina
Generic low-energy spectral features related to - excitations in nearly cubic vanadium perovskites are predicted for the expected -edge resonant inelastic X-ray scattering…
Ab initio calculation of d-d excitations in quasi-one-dimensional Cu d9 correlated materials
Hsiao-Yu Huang, Nikolay A. Bogdanov, Liudmila Siurakshina +3
With wavefunction-based electronic-structure calculations we determine the Cu d-d excitation energies in quasi-one-dimensional spin-chain and ladder copper oxides. A complete set o…
Ab Initio determination of Cu 3d orbital energies in layered copper oxides
Liviu Hozoi, Liudmila Siurakshina, Peter Fulde +1
It has long been argued that the minimal model to describe the low-energy physics of the high-Tc superconducting cuprates must include copper states of other symmetries besides the…