论文标题
在不对称层间相互作用下，巨型Rashba分裂的巨型Rashba分裂的增强
Enhancement of Giant Rashba Splitting in BiTeI under Asymmetric Interlayer Interaction
论文作者
论文摘要
我们进行密度功能理论计算，以通过修改层间相互作用来增强Bitei的RASHBA自旋分裂（RSS）。结果表明，随着TE层接近相邻的BI层或I层从BI层退去时，RSS的增加。我们的结果表明，通过在TE站点引入空缺以使有效的BI-TE距离短，可以敏感地增加RSS。还发现，当沿晶体动量发展RSS时，Te P轨道特性的差异会增加，这支持自旋切割带中不对称的层间相互作用。我们的工作表明，层间相互作用的修改是对Bitei和其他分层材料中RSS建模的有效方法。
We carry out density functional theory calculation to enhance the Rashba spin splitting (RSS) of BiTeI by modifying the interlayer interaction. It is shown that RSS increases as the Te layer approaches to adjacent Bi layer or the I layer recedes from the Bi layer. Our results indicate that the RSS can be sensitively increased by introducing a vacancy on the Te site to make effective Bi-Te distance shorter. It is also found that the difference of Te p orbital character between two spin-split bands increases when the RSS is developed along crystal momentum, which supports asymmetric interlayer interaction in the spin-split bands. Our work suggests that the modification of interlayer interaction is an effective approach in the modeling of the RSS in BiTeI and other layered materials.
