244 citations · 439 across the 6 of their papers we have counts for
6 papers
Yb - excitations in NaYbSe: benchmarking embedded-cluster quantum chemical schemes for 4 insulators
Pritam Bhattacharyya, Liviu Hozoi
triangular-lattice -electron materials define a dynamic research area in condensed matter magnetism. In various Yb 4 triangular-lattice compounds, fo…
Pressure-induced dimerization and valence bond crystal formation in the Kitaev-Heisenberg magnet alpha-RuCl3
G. Bastien, G. Garbarino, R. Yadav +17
Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material alpha-RuCl3 reveal a pressure-induced crystallographic and magnetic phase transit…
Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations
Vamshi M. Katukuri, S. Nishimoto, V. Yushankhai +7
NaIrO, a honeycomb 5 oxide, has been recently identified as a potential realization of the Kitaev spin lattice. The basic feature of this spin model is that for each o…
Ab initio determination of excitation energies and magnetic couplings in correlated, quasi two-dimensional iridates
Vamshi M. Katukuri, H. Stoll, J. van den Brink +1
To determine the strength of essential electronic and magnetic interactions in the iridates SrIrO and BaIrO - potential platforms for high-temperature superconducti…
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…
Correlation-induced corrections to the band structure of boron nitride: a wave-function-based approach
A. Stoyanova, L. Hozoi, P. Fulde +1
We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based…