32 citations · 85 across the 6 of their papers we have counts for
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physics.comp-ph2016★ 32 cited
Exchange interactions of CaMnO3 in the bulk and at the surface
Samara Keshavarz, Yaroslav Kvashnin, Debora Rodrigues +7
In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density f…
cond-mat.mtrl-sci2016★ 14 cited
Gap opening and large spin-orbit splitting in MX2 (M=Mo,W X=S,Se,Te) from the interplay between crystal field and hybridizations: insights from ab-initio theory
Carmine Autieri, Adrien Bouhon, Biplab Sanyal
By means of first-principles density functional calculations, we study the maximally localized Wannier functions for the 2D transition metal dichalcogenides MX2 (M=Mo,W X=S,Se,Te).…