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arXiv 2003.01915cond-mat.mes-hall
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非对称层间相互作用下BiTeI中巨Rashba分裂的增强

Enhancement of Giant Rashba Splitting in BiTeI under Asymmetric Interlayer Interaction

Taesu Park, Jisook Hong, Ji Hoon Shim

摘要:

我们利用密度泛函理论计算了通过改变层间相互作用来增强BiTeI的Rashba自旋分裂(RSS)。结果表明,随着Te层靠近相邻的Bi层或I层远离Bi层,RSS增加。我们的结果表明,RSS可以敏感地增加通过引入一个空位的Te位,使有效的Bi-Te距离缩短。研究还发现,当RSS沿晶体动量方向发展时,两个自旋劈裂带的Te p轨道特征的差异增大,这支持了自旋劈裂带中的非对称层间相互作用.我们的工作表明,层间相互作用的修改是一个有效的方法在BiTeI和其他层状材料的RSS建模。

英文摘要:

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.

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