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arXiv · 2401.11065

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

Shuai Qu·Zhen-Feng Ouyang·Ze-Feng Gao·Hao Sun·Kai Liu·Peng-Jie Guo·Zhong-Yi Lu
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Abstract

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.

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Shuai Qu, Zhen-Feng Ouyang, Ze-Feng Gao, Hao Sun, Kai Liu, Peng-Jie Guo, Zhong-Yi Lu. 2024-01-19. Extremely strong spin-orbit coupling effect in light-element altermagnetic materials. https://doi.org/10.15302/frontphys.2026.045203

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