Extremely strong spin-orbit coupling effect in light-element altermagnetic materials
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arXiv
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| Format: | Preprint |
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2024
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| _version_ | 1866918187457576960 |
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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 |