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cond-mat.mtrl-sci2026
Charge disproportionation and spin ordering in LiVO and NaVO: a distributed moment point of view
Claudio Garcia, Ilteris K. Turan, Jerome Jackson +3
The effects of charge disproportionation between V and V on the exchange interactions and related magnetic, electronic and optical properties are studied in LiVO$…
cond-mat.mtrl-sci2025
Electronic structure and exchange interactions in altermagnetic MnGeP in the quasiparticle-self-consistent approach
Ilteris K. Turan, Walter R L. Lambrecht, Jerome Jackson
The QS method is used to study the electronic band structure, optical dielectric function, and exchange interactions in chalcopyrite, , structure MnGeP. The mat…
cond-mat.mtrl-sci2024★ 3 cited
Fast \textit{ab initio} design of high-entropy magnetic thin films
Dinesh Bista, Willie B. Beeson, Turbasu Sengupta +4
We show that the magnetic properties of high-entropy alloys (HEAs) can be captured by \textit{ab initio} calculations within the coherent potential approximation, where the atomic…