First-principles study of the doping effects in bilayer graphene

被引：34

作者：

Mao, Yuliang ^{[1
]}

Stocks, G. Malcolm ^{[2
]}

Zhong, Jianxin ^{[1
]}

机构：

[1] Xiangtan Univ, Fac Mat Optoelect & Phys, Lab Quantum Engn & Micronano Energy Technol, Xiangtan 411105, Hunan, Peoples R China

[2] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA

来源：

NEW JOURNAL OF PHYSICS | 2010年 / 12卷

基金：

中国国家自然科学基金;

关键词：

EPITAXIAL GRAPHENE; BERRYS PHASE; SCATTERING; BANDGAP;

D O I：

10.1088/1367-2630/12/3/033046

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We used first-principles calculations to study the doping effects in bilayer graphene, focusing on Au substitute doping in the upper layer of graphene. We found that Au doping in the upper layer maintains the lattice structure of the lower graphene layer. Our study on binding energy shows that the Au-doped bilayer structure is stable with Au atom tightly confined in a small region between the upper and lower layers. Charge density analysis indicates that charge is transferred from the Au donor to the carbon atoms in the lower layer, increasing the carrier density in the lower graphene.

引用

页数：10

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