186 citations · 299 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 6 cited
Electronic structure of the magnetic halide double perovskites Cs2(Ag,Na)FeCl6 from first-principles
Johan Klarbring, Utkarsh Singh, Sergei I. Simak +1
A family of magnetic halide double perovskites (HDPs) have recently attracted attention due to their potential to broaden application areas of halide double perovskites into e.g. s…
cond-mat.mtrl-sci2022★ 13 cited
Phase stability of Fe from first-principles: atomistic spin dynamics coupled with ab initio molecular dynamics simulations and thermodynamic integration
Davide Gambino, Johan Klarbring, Björn Alling
The calculation of free energies from first principles in materials is a formidable task which enables the prediction of phase stability with high accuracy; these calculations are…