Structural stability and electronic properties of carbon star lattice monolayer

被引：1
|
作者：
Fan Xue-Lan [1 ]
Niu Chun-Yao [1 ]
Wang Xin-Quan [1 ]
Wang Jian-Tao [1 ]
Li Han-Dong [2 ]
机构：
[1] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
[2] Chinese Res Inst Environm Sci, State Key Lab Environm Criteria & Risk Assessment, Beijing 100012, Peoples R China
来源：
CHINESE PHYSICS B | 2014年 / 23卷 / 09期
基金：
中国国家自然科学基金;
关键词：
carbon star lattice; structural stability; electronic properties; first-principles calculations; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; HELICAL CHAINS; BASIS-SET; ALLOTROPES; PLANAR;
D O I：
10.1088/1674-1056/23/9/096104
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
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 C-12 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.
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页数：4
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