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cond-mat.str-el2024
First-principles study of KCoF: Jahn-Teller effect, dynamical magnetic charges, magnetoelectric multipoles and antimagnetoelectricity
Bogdan Guster, Maxime Braun, Eric Bousquet
We study from \textit{ab~initio} density functional theory calculations the structural and magnetic properties of the crystal KCoF. We found that the experimentally reported cu…
cond-mat.mtrl-sci2024
Large dynamical magnetic effective charges and anti-magnetoelectricity from spin and orbital origin in multiferroic BiCoO
Maxime Braun, Bogdan Guster, Andrea Urru +2
Using first-principles calculations, we explore the magnetoelectric properties of the room-temperature multiferroic crystal BiCoO. We use both applied magnetic field and finite…