58 citations · 79 across the 4 of their papers we have counts for
5 papers · 1 filter
Orbital-slective behaviour in cubanite CuFe2S3
E. A. Pankrushina, A. V. Ushakov, M. M. Abd-Elmeguid +1
Using {\it ab initio} band structure calculations we show that mineral cubanite, CuFeS, demonstrates an orbital-selective behavior with some of the electrons occupying mole…
Multiple field-induced phases in the frustrated triangular magnet CsFeBr
D. Brüning, T. Fröhlich, D. Gorkov +13
The recently discovered material CsFeBr contains FeBr bi-octahedra forming triangular layers with hexagonal stacking along the axis. In contrast to isostruc…
Structural transition in AuAgTe4 under pressure
A. V. Ushakov, S. V. Streltsov, D. I. Khomskii
Gold is inert and forms very few compounds. One of the most interesting of those is calaverite AuTe2, which has incommensurate structure and which becomes superconducting when dope…
Old puzzle of incommensurate crystal structure of calaverite AuTe and predicted stability of novel AuTe compound
Sergey V. Streltsov, Valerii V. Roizen, Alexey V. Ushakov +2
It is shown that the long-standing puzzle of incommensurate crystal structure of AuTe can be solved, if this material is considered as a negative charge-transfer system. Using…
Dimerization in honeycomb Na2RuO3 under pressure: a DFT study
D. D. Gazizova, A. V. Ushakov, S. V. Streltsov
The structural properties of Na2RuO3 under pressure are studied using density functional theory within the generalized gradient approximation (GGA). We found that one may expect a…