Structural stability and electronic properties of carbon star lattice monolayer

doi:10.1088/1674-1056/23/9/096104

›› 2014, Vol. 23 ›› Issue (9): 96104-096104.doi: 10.1088/1674-1056/23/9/096104

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

Structural stability and electronic properties of carbon star lattice monolayer

范雪兰^a, 牛春要^a, 王新全^a, 王建涛^a, 李捍东^b

a Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
b State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China

收稿日期:2014-03-03 修回日期:2014-04-16 出版日期:2014-09-15 发布日期:2014-09-15
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11274356) and the Ministry of Environmental Protection of China (Grant Nos. 200909086 and 201109037).

Structural stability and electronic properties of carbon star lattice monolayer

Fan Xue-Lan (范雪兰)^a, Niu Chun-Yao (牛春要)^a, Wang Xin-Quan (王新全)^a, Wang Jian-Tao (王建涛)^a, Li Han-Dong (李捍东)^b

a Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
b State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China

Received:2014-03-03 Revised:2014-04-16 Online:2014-09-15 Published:2014-09-15
Contact: Wang Jian-Tao E-mail:wjt@aphy.iphy.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11274356) and the Ministry of Environmental Protection of China (Grant Nos. 200909086 and 201109037).

摘要/Abstract

摘要： By means of the first-principles calculations, we have investigated the structural stability and electronic properties of carbon star lattice monolayer and nanoribbons. The phase stability of the carbon star lattice is verified through phonon-mode analysis and room temperature molecular dynamics simulations. The carbon star lattice is found to be metallic due to the large states across the Fermi-level contributed by p_z orbital. Furthermore, the nanoribbons are also found to be metallic and no spin polarization occurs, except for the narrowest nanoribbon with one C₁₂ ring, which has a ferromagnetic ground state. Our results show that carbon star lattice monolayer and nanoribbons have rich electronic properties with great potential in future electronic nanodevices.

关键词: carbon star lattice, structural stability, electronic properties, first-principles calculations

Abstract: By means of the first-principles calculations, we have investigated the structural stability and electronic properties of carbon star lattice monolayer and nanoribbons. The phase stability of the carbon star lattice is verified through phonon-mode analysis and room temperature molecular dynamics simulations. The carbon star lattice is found to be metallic due to the large states across the Fermi-level contributed by p_z orbital. Furthermore, the nanoribbons are also found to be metallic and no spin polarization occurs, except for the narrowest nanoribbon with one C₁₂ ring, which has a ferromagnetic ground state. Our results show that carbon star lattice monolayer and nanoribbons have rich electronic properties with great potential in future electronic nanodevices.

Key words: carbon star lattice, structural stability, electronic properties, first-principles calculations

中图分类号: (Structure of fullerenes and related hollow and planar molecular structures)

61.48.-c

61.46.-w (Structure of nanoscale materials) 73.22.-f (Electronic structure of nanoscale materials and related systems)

范雪兰, 牛春要, 王新全, 王建涛, 李捍东. Structural stability and electronic properties of carbon star lattice monolayer[J]. , 2014, 23(9): 96104-096104.

Fan Xue-Lan (范雪兰), Niu Chun-Yao (牛春要), Wang Xin-Quan (王新全), Wang Jian-Tao (王建涛), Li Han-Dong (李捍东). Structural stability and electronic properties of carbon star lattice monolayer[J]. Chin. Phys. B, 2014, 23(9): 96104-096104.

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Structural stability and electronic properties of carbon star lattice monolayer

Structural stability and electronic properties of carbon star lattice monolayer

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