Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

被引:4
作者
Luo, Min [1 ]
Yu, Bin [1 ]
Xu, Yu-e [2 ,3 ]
机构
[1] Shanghai Polytech Univ, Dept Phys, Shanghai 201209, Peoples R China
[2] Shanghai Jian Qiao Coll, Dept Elect Engn, Shanghai 201306, Peoples R China
[3] Fudan Univ, Sch Microelect, Shanghai 200433, Peoples R China
基金
中国国家自然科学基金;
关键词
tunable bandgap; SiC; GeC; electric field; first-principles calculation; BAND-GAP; GRAPHENE; HETEROSTRUCTURES; SILICENE; STRAIN; MOS2;
D O I
10.3390/mi10050309
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
First-principles calculations were used to investigate the electronic properties of the SiC/GeC nanosheet (the thickness was about 8 angstrom). With no electric field (E-field), the SiC/GeC nanosheet was shown to have a direct bandgap of 1.90 eV. In the band structure, the valence band of the SiC/GeC nanosheet was mainly made up of C-p, while the conduction band was mainly made up of C-p, Si-p, and Ge-p, respectively. Application of the E-field to the SiC/GeC nanosheet was found to facilitate modulation of the bandgap, regularly reducing it to zero, which was linked to the direction and strength of the E-field. The major bandgap modulation was attributed to the migration of C-p, Si-p, and Ge-p orbitals around the Fermi level. Our conclusions might give some theoretical guidance for the development and application of the SiC/GeC nanosheet.
引用
收藏
页数:9
相关论文
共 39 条
  • [1] The electronic properties of graphene
    Castro Neto, A. H.
    Guinea, F.
    Peres, N. M. R.
    Novoselov, K. S.
    Geim, A. K.
    [J]. REVIEWS OF MODERN PHYSICS, 2009, 81 (01) : 109 - 162
  • [2] Electrically tunable band gap in silicene
    Drummond, N. D.
    Zolyomi, V.
    Fal'ko, V. I.
    [J]. PHYSICAL REVIEW B, 2012, 85 (07)
  • [3] Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene
    Fei, Ruixiang
    Faghaninia, Alireza
    Soklaski, Ryan
    Yan, Jia-An
    Lo, Cynthia
    Yang, Li
    [J]. NANO LETTERS, 2014, 14 (11) : 6393 - 6399
  • [4] The rise of graphene
    Geim, A. K.
    Novoselov, K. S.
    [J]. NATURE MATERIALS, 2007, 6 (03) : 183 - 191
  • [5] Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    Grimme, Stefan
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2006, 27 (15) : 1787 - 1799
  • [6] Excitonic effects in the optical properties of a SiC sheet and nanotubes
    Hsueh, H. C.
    Guo, G. Y.
    Louie, Steven G.
    [J]. PHYSICAL REVIEW B, 2011, 84 (08)
  • [7] Specific features of band structure in large-sized Si2-xCx (1.04 ≤ x < 1.10) nanocrystallites
    Kityk, IV
    [J]. SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2003, 18 (12) : 1001 - 1009
  • [8] Band structure of large-sized SiC nanocomposites
    Kityk, IV
    Kassiba, A
    Plucinski, K
    Berdowski, J
    [J]. PHYSICS LETTERS A, 2000, 265 (5-6) : 403 - 410
  • [9] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    Kresse, G
    Furthmuller, J
    [J]. PHYSICAL REVIEW B, 1996, 54 (16): : 11169 - 11186
  • [10] From ultrasoft pseudopotentials to the projector augmented-wave method
    Kresse, G
    Joubert, D
    [J]. PHYSICAL REVIEW B, 1999, 59 (03): : 1758 - 1775