Extremely strong spin-orbit coupling effect in light-element altermagnetic materials

Fuente: arXiv
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Hauptverfasser: Qu, Shuai, Ouyang, Zhen-Feng, Gao, Ze-Feng, Sun, Hao, Liu, Kai, Guo, Peng-Jie, Lu, Zhong-Yi
Format: Preprint
Veröffentlicht: 2024
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author Qu, Shuai
Ouyang, Zhen-Feng
Gao, Ze-Feng
Sun, Hao
Liu, Kai
Guo, Peng-Jie
Lu, Zhong-Yi
author_facet Qu, Shuai
Ouyang, Zhen-Feng
Gao, Ze-Feng
Sun, Hao
Liu, Kai
Guo, Peng-Jie
Lu, Zhong-Yi
contents Spin-orbit coupling is a key to realize many novel physical effects in condensed matter physics. Altermagnetic materials possess the duality of real-space antiferromagnetism and reciprocal-space ferromagnetism. It has not been explored that achieving strong spin-orbit coupling effect in light-element altermagnetic materials. In this work, based on symmetry analysis, the first-principles electronic structure calculations plus Dynamical Mean Field Theory, we demonstrate that there is strong spin-orbit coupling effect in light-element altermagnetic materials $\rm NiF_3$ and $\rm FeCO_3$, and then propose a mechanism for realizing such effective spin-orbit coupling. This mechanism reveals the cooperative effect of crystal symmetry, electron occupation, electronegativity, electron correlation, and intrinsic spin-orbit coupling. Our work provides an approach for searching light-element altermagnetic materials with an effective strong spin-orbit coupling.
format Preprint
id arxiv_https___arxiv_org_abs_2401_11065
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Extremely strong spin-orbit coupling effect in light-element altermagnetic materials
Qu, Shuai
Ouyang, Zhen-Feng
Gao, Ze-Feng
Sun, Hao
Liu, Kai
Guo, Peng-Jie
Lu, Zhong-Yi
Materials Science
Spin-orbit coupling is a key to realize many novel physical effects in condensed matter physics. Altermagnetic materials possess the duality of real-space antiferromagnetism and reciprocal-space ferromagnetism. It has not been explored that achieving strong spin-orbit coupling effect in light-element altermagnetic materials. In this work, based on symmetry analysis, the first-principles electronic structure calculations plus Dynamical Mean Field Theory, we demonstrate that there is strong spin-orbit coupling effect in light-element altermagnetic materials $\rm NiF_3$ and $\rm FeCO_3$, and then propose a mechanism for realizing such effective spin-orbit coupling. This mechanism reveals the cooperative effect of crystal symmetry, electron occupation, electronegativity, electron correlation, and intrinsic spin-orbit coupling. Our work provides an approach for searching light-element altermagnetic materials with an effective strong spin-orbit coupling.
title Extremely strong spin-orbit coupling effect in light-element altermagnetic materials
topic Materials Science
url https://arxiv.org/abs/2401.11065