Large dynamical magnetic effective charges in the Jahn-Teller KCoF$_3
We compute from density functional theory calculations the dynamical magnetic effective charges of the Jahn-Teller ground state of KCoF$_3$ and we unexpectedly obtain the largest up-to-date values reported in real materials (close to 200$\times 10^{-2}\mu_{\text{B}}/\text{\r{A}}$). We determine that...
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Zusammenfassung: | We compute from density functional theory calculations the dynamical magnetic
effective charges of the Jahn-Teller ground state of KCoF$_3$ and we
unexpectedly obtain the largest up-to-date values reported in real materials
(close to 200$\times 10^{-2}\mu_{\text{B}}/\text{\r{A}}$). We determine that
those large values are due to both spin and orbital contributions, as expected
from the presence of unquenched Co-d orbital magnetic moment, even though we
show that the Co dynamical magnetic effective charges values are surprisingly
zero by symmetry. Hence, we conclude that even if KCoF$_3$ is not multiferroic,
it is antimagnetoelectric with a compensating but large individual magnetic
sublattice magnetoelectric response of 210 ps/m per spin-channel. Our study
shows that the dynamical magnetic effective charges might be an important
property of magnetic materials beyond the magnetoelectric ones. |
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DOI: | 10.48550/arxiv.2411.00974 |