三维Rashba半导体能带的轨道映射和截断自旋极化
Orbital mapping of energy bands and the truncated spin polarization in three-dimensional Rashba semiconductors
摘要：
与自旋轨道耦合（SOC）和反转对称性破缺相关，Rashba自旋极化为自旋电子应用开辟了一条新的途径，而这条途径以前仅限于普通磁体。然而，实际Rashba系统中的自旋极化效应比传统的单轨道模型所建议的要复杂得多。通过第一性原理密度泛函理论和多轨道k.p模型研究三维体Rashba系统（不受表面效应的影响），我们发现主导自旋极化效应的物理起源是SOC诱导的自旋与多轨道之间的杂化，特别是那些具有非零轨道角动量的自旋.在这个框架中，我们建立了一个一般的理解轨道映射，共同的表面的拓扑绝缘体和Rashba系统。因此，各种自旋极化效应的内在机制，这涉及到所有的Rashba系统，甚至那些与全球反演对称，被理解为一种表现的轨道纹理。这一发现为考虑原子轨道含量设计高自旋极化材料提供了一条途径。
英文摘要：
Associated with spin-orbit coupling (SOC) and inversion symmetry breaking, Rashba spin polarization opens a new avenue for spintronic applications that was previously limited to ordinary magnets. However, spin polarization effects in actual Rashba systems are far more complicated than what conventional single-orbital models would suggest. By studying via first-principles DFT and a multi-orbital k.p model a 3D bulk Rashba system (free of complications by surface effects) we find that the physical origin of the leading spin polarization effects is SOC-induced hybridization between spin and multiple orbitals, especially those with nonzero orbital angular momenta. In this framework we establish a general understanding of the orbital mapping, common to the surface of topological insulators and Rashba system. Consequently, the intrinsic mechanism of various spin polarization effects, which pertain to all Rashba systems even those with global inversion symmetry, is understood as a manifestation of the orbital textures. This finding suggests a route for designing high spin-polarization materials by considering the atomic-orbital content.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
