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Band structure engineering of graphene by strain: First-principles calculations

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WOS被引频次:285
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成果类型:
期刊论文
作者:
Gui, Gui;Li, Jin;Zhong, Jianxin
通讯作者:
Zhong, JX
作者机构:
[Zhong, Jianxin] Xiangtan Univ, Lab Quantum Engn & Micronano Energy Technol, Xiangtan 411105, Hunan, Peoples R China.
Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China.
通讯机构:
[Zhong, Jianxin] Xiangtan Univ, Lab Quantum Engn & Micronano Energy Technol, Xiangtan 411105, Hunan, Peoples R China.
语种:
英文
期刊:
PHYSICAL REVIEW B
ISSN:
1098-0121
年:
2008
卷:
78
期:
7
文献类别:
WOS:Article
所属学科:
ESI学科类别:物理学;WOS学科类别:Physics, Condensed Matter
入藏号:
基金类别:
Ministry of Education, China; National Natural Science Foundation of China [10774127]
机构署名:
本校为第一且通讯机构
院系归属:
物理与光电工程学院
摘要:
We have investigated the electronic structure of graphene under different planar strain distributions using the first-principles pseudopotential plane-wave method and the tight-binding approach. We found that graphene with a symmetrical strain distribution is always a zero band-gap semiconductor and its pseudogap decreases linearly with the strain strength in the elastic regime. However, asymmetrical strain distributions in graphene result in opening of band gaps at the Fermi level. For the graphene with a strain distribution parallel to C-C bonds, its band gap continuously increases to its maximum width of 0.486 eV as the strain increases up to 12.2%. For the graphene with a strain distribution perpendicular to C-C bonds, its band gap continuously increases only to its maximum width of 0.170 eV as the strain increases up to 7.3%. The anisotropic nature of graphene is also reflected by different Poisson ratios under large strains in different directions. We found that the Poisson ratio approaches to a constant of 0.1732 under small strains but decreases differently under large strains along different directions.
参考文献:
Arroyo M, 2004, PHYS REV B, V69, DOI 10.1103/PhysRevB.69.115415
BLAKSLEE OL, 1970, J APPL PHYS, V41, P3373, DOI 10.1063/1.1659428
BLOCHL PE, 1994, PHYS REV B, V50, P17953, DOI 10.1103/PhysRevB.50.17953
Huertas-Hernando D, 2006, PHYS REV B, V74, DOI 10.1103/PhysRevB.74.155426
Kane CL, 2005, PHYS REV LETT, V95, DOI 10.1103/PhysRevLett.95.226801

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