3D Rashba材料可以成为自旋相关新现象的主要参与者，从金属极端（非常规超导性）到传输中间体（自旋霍尔效应）再到新的绝缘变体（3D拓扑绝缘态）。作为这种3D Rashba材料的基础和应用研究的重要支柱，这项研究建立了候选化合物BiTeI的相当大的单晶的生长，并调整了载流子浓度。采用三种技术（标准垂直布里奇曼、改进的水平布里奇曼和蒸气传输），并通过所选技术成功地生长了具有从金属到绝缘的根本不同的电子状态的BiTeI晶体（> 1 * 1 * 0.2 mm 3）。通过相对论第一性原理计算，得到了BiTeI晶体中载流子浓度的三维Rashba电子态，包括费米面拓扑.
英文摘要：
3D Rashba materials can be a leading player in spin-related novel phenomena, ranging from the metallic extreme (unconventional superconductivity) to the transport intermediate (spin Hall effects) to the novel insulating variant (3D topological insulating states). As the essential backbone for both fundamental and applied research of such a 3D Rashba material, this study established the growth of sizeable single crystals of a candidate compound BiTeI with adjusted carrier concentrations. Three techniques (standard vertical Bridgman, modified horizontal Bridgman, and vapour transport) were employed, and BiTeI crystals (> 1 * 1 * 0.2 mm3) with fundamentally different electronic states from metallic to insulating were successfully grown by the chosen techniques. The 3D Rashba electronic states, including the Fermi surface topology, for the corresponding carrier concentrations of the obtained BiTeI crystals were revealed by relativistic first-principles calculations.
Enhanced quasiparticle dynamics of quantum well states: the giant Rashba system BiTeI and topological insulators
在巨大的Rashba半导体BiTeI电子表面散射与洛伦兹线宽观察到的表面终止和表面电位的变化表现出很强的依赖性。与拓扑绝缘体Bi 2 Se 3的比较表明，表面限制量子阱态是这些过程的起源。我们注意到增强准粒子动力学的散射率，这些国家的极化系统中的碰撞为主的制度。洛伦兹散射贡献的Eg对称性不同于拓扑绝缘体中相应信号的手征（RL）对称性，尽管两个系统都具有自旋分裂表面态。
Engineering Topological Surface States and Giant Rashba Spin Splitting in BiTeI/Bi$_2$Te$_3$ Heterostructures
强反型非对称拓扑绝缘体具有与反型对称绝缘体不同的性质，是目前研究的热点。特别是，人们希望在这样的材料中实现大的Rashba自旋分裂（RSS），它与拓扑表面态（TSS）相结合，可能会导致有用的自旋电子学应用。在本报告中，基于第一性原理计算，我们预测BiTeI/Bi $_{2}$ Te $_{3}$的异质结构是一个强的拓扑绝缘体与一个巨大的RSS。TSS和RSS在当前系统中的共存是原生的和稳定的。更重要的是，我们发现，这两个$\mathbb{Z}_{2}$不变量和Rashba能量可以通过工程的异质结构的层的几何形状来控制，和Rashba能量可以做得甚至大于散装BiTeI。我们的工作为设计基于反型非对称异质结构的拓扑自旋电子学器件开辟了一条新的途径。
Based on the ab initio calculations, we study the electronic structure of the BiTeI/MnBi2Te4 heterostructure interface composed of the anti-ferromagnetic topological insulator MnBi$_2$Te$_4$ and the polar semiconductor trilayer BiTeI. We found significant difference in electronic properties at different types of contact between substrate and the overlayer. While the case of Te-Te interface forms natural expansion of the substrate, when Dirac cone state locates mostly in the polar overlayer region and undergoes slight exchange splitting, Te-I contact is the source of four-band state contributed…
Composite quantum compounds (CQCs) have become an important avenue for the investigation of inter-correlation between two distinct phenomenon in physics. Topological superconductors, axion insulators etc. are few such CQCs which have recently drawn tremendous attention in the community. Topological nontriviality and Rashba spin physics are two different quantum phenomena but can be intertwined within a CQC platform. In this letter, we present a general symmetry based mechanism, supported by \textit{ab-initio} calculations to achieve intertwined giant Rashba splitting and topological non-trivia…
In this paper, spintronic properties of the mono-layer GaTe under biaxial and uniaxial strain is investigated. Here, spin properties of two structures of GaTe, one with mirror symmetry and the other with inversion symmetry, is studied. We have also calculated the band structure of GaTe with and without spin-orbit coupling to find out the importance of spinorbit interaction (SOI) on its band structure. We find band gap can be modified by applying spin-orbit coupling in the presence of strain. We explore Mexican-hat dispersion for different structures and different strain. We find Mexican-hat ca…
