Strong spin-orbit splitting in graphene with adsorbed Au atoms

被引：78

作者：

Ma, Dongwei ^{[1
,2
,3
]}

Li, Zhongyao ^{[4
]}

Yang, Zhongqin ^{[1
,2
,3
]}

机构：

[1] Fudan Univ, Key Lab Computat Phys Sci, MOE, Shanghai 200433, Peoples R China

[2] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China

[3] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

[4] Univ Shanghai Sci & Technol, Coll Sci, Shanghai 200093, Peoples R China

来源：

CARBON | 2012年 / 50卷 / 01期

基金：

中国国家自然科学基金;

关键词：

AUGMENTED-WAVE METHOD; SEMICONDUCTORS; SPINTRONICS; ELECTRONS;

D O I：

10.1016/j.carbon.2011.08.055

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Spin-orbit (SO) splitting in graphene with adsorbed Au atoms is investigated by using a first-principles method. Considerable (similar to 200 meV) Rashba-type SO splitting can be achieved in the graphene pi bands. When a Au atom is adsorbed above a C-C bond, Dresselhaus-type SO splitting is found to be present due to the absence of inversion symmetry and the substantial contribution of Au 5d(xz) components. The influence of strains in graphene on SO splitting is also explored. A slight strain with the strength of -5% to 5% usually does not change much the SO splitting. The variation of SO splitting versus strain strength is rationalized through structural relaxation and effective hybridization between C 2p(z) and certain Au 5d states. Our study predicts a new way to increase the SO splitting in graphene and provides useful understanding of the mechanism. (C) 2011 Elsevier Ltd. All rights reserved.

引用

页码：297 / 305

页数：9

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