磁序驱动的PT破缺反铁磁MnS2与交变磁MnSe2中的非线性光电流
Magnetic-Order-Driven Nonlinear Photocurrents in PT-Broken Antiferromagnetic MnS2 and Altermagnetic MnSe2
- Technical University of Darmstadt（达姆施塔特工业大学）
- Birla Institute of Technology Mesra（米尔萨比尔拉理工学院）
- Beijing Institute of Technology（北京理工大学）
- The University of Tokyo（东京大学）
- Suzhou Laboratory（苏州实验室）
- Leibniz Institute for Solid State and Materials Research Dresden（德累斯顿莱布尼茨固体和材料研究所）
- Würzburg-Dresden Cluster of Excellence ctd.qmat（维尔茨堡-德累斯顿卓越集群 ctd.qmat）
- Technische Universität Dresden（德累斯顿工业大学）
- University of Salzburg（萨尔茨堡大学）
机构由 AI 辅助整理，请以论文原文为准。
中文总结 AI 辅助
本研究通过第一性原理计算，揭示了反铁磁MnS2与交变磁MnSe2中磁序驱动的反演对称性破缺可产生非线性光电流，并阐明了自旋-轨道耦合对对称性允许张量分量的关键作用，为磁控光电流提供了新途径。
中文摘要 AI 辅助
非线性光电流响应通常需要反演对称性破缺，但其起源可以是磁性的而非结构性的。在本研究中，我们研究了反铁磁MnS2和交变磁MnSe2中的体光伏效应，这两种黄铁矿型半导体的磁有序破缺了反演对称性P及其与时间反演的组合PT，而伴随的晶格畸变极小。我们计算了在有无自旋-轨道耦合（SOC）情况下，线性和圆偏振光下的位移电流（SC）和注入电流（IC）响应，并分别利用相应的磁点群和自旋点群识别了其对称性允许的张量分量。线性SC和圆IC在MnS2和MnSe2中均对称性允许，与SOC无关，而线性IC和圆SC在MnS2中仍被禁止，但在MnSe2中仅当包含SOC时才变为允许。这些结果凸显了SOC及相应的MPG分析对于完整描述磁性材料中非线性电荷光电流的重要性。除电荷响应外，MnSe2在非相对论极限下支持线性位移和圆注入自旋光电流，而MnS2中所有自旋光电流响应均被禁止。因此，我们的发现确立了由补偿磁序诱导的反演对称性破缺作为产生和控制非线性光电流的途径。
英文摘要
Nonlinear photocurrent responses generally require inversion-symmetry breaking, but its origin can be magnetic rather than structural. In this study, we investigate the bulk photovoltaic effect in antiferromagnetic MnS2 and altermagnetic MnSe2, two pyrite-type semiconductors whose magnetic ordering breaks inversion symmetry P and its combination with time reversal PT, while the accompanying lattice distortion is minute. We calculate the shift current (SC) and injection current (IC) responses under linearly and circularly polarized light with and without spin-orbit coupling (SOC) and identify their symmetry-allowed tensor components using the corresponding magnetic and spin point groups, respectively. Linear SC and circular IC are symmetry-allowed in both MnS2 and MnSe2 irrespective of SOC, whereas linear IC and circular SC remain forbidden in MnS2 but become allowed in MnSe2 only when SOC is included. These results highlight the importance of SOC and the corresponding MPG analysis for a complete description of nonlinear charge photocurrents in magnetic materials. Beyond charge responses, MnSe2 supports linear shift and circular injection spin photocurrents in the nonrelativistic limit, whereas all spin-photocurrent responses are forbidden in MnS2. Our findings therefore establish inversion symmetry breaking induced by compensated magnetic order as a route to generating and controlling nonlinear photocurrents.
