85 citations · 161 across the 4 of their papers we have counts for
4 papers
Holes' character and bond versus charge disproportionation in perovskites
Mohammad Reza Benam, Kateryna Foyevtsova, Arash Khazraie +2
We use density functional theory methods to study the electronic structures of a series of cubic perovskites : the experimentally available SrBiO, BaBiO,…
Bond versus charge disproportionation in the bismuth perovskites
Arash Khazraie, Kateryna Foyevtsova, Ilya Elfimov +1
We develop a theory describing a parameter based phase diagram to be associated with materials incorporating skipped valence ions\cite{Varma}. We use a recently developed tight-bin…
Oxygen holes and hybridization in the bismuthates
Arash Khazraie, Kateryna Foyevtsova, Ilya Elfimov +1
Motivated by the recently renewed interest in the superconducting bismuth perovskites, we investigate the electronic structure of the parent compounds ABiO (A= Sr, Ba) using…
Hybridization effects and bond-disproportionation in the bismuth perovskites
Kateryna Foyevtsova, Arash Khazraie, Ilya Elfimov +1
We propose a microscopic description of the bond-disproportionated insulating state in the bismuth perovskites BiO (=Ba, Sr) that recognizes the bismuth-oxygen hybridizat…