First-principles calculations of the dielectric properties of silicon nanostructures

被引:23
|
作者
Hamel, S. [1 ]
Williamson, A. J. [1 ]
Wilson, H. F. [2 ]
Gygi, F. [2 ]
Galli, G. [2 ]
Ratner, E. [3 ]
Wack, D. [3 ]
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA
[2] Univ Calif Davis, Davis, CA 95616 USA
[3] Kla Tencor Corp, San Jose, CA 95134 USA
关键词
D O I
10.1063/1.2839332
中图分类号
O59 [应用物理学];
学科分类号
摘要
We have investigated the static dielectric properties of silicon rods and slabs below 10 nm, in the long wavelength limit, by using first-principles density functional theory calculations. Surface structure is found to be the most important factor affecting the changes of the dielectric response at the nanoscale, compared to that of bulk Si, with significant differences observed between slabs and finite rods of similar lateral dimensions. (C) 2008 American Institute of Physics.
引用
收藏
页数:3
相关论文
共 50 条
  • [1] First-principles calculations of atomic and electronic properties of ZnO nanostructures
    Xu, H.
    Fan, W.
    Fang, D.
    Rosa, A. L.
    Frauenheim, Th.
    Zhang, R. Q.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2010, 247 (10): : 2581 - 2593
  • [2] Large-Scale First-Principles Electronic Structure Calculations for Silicon Nanostructures
    Iwata, Jun-Ichi
    Oshiyama, A.
    Shiraishi, K.
    PHYSICS OF SEMICONDUCTORS: 30TH INTERNATIONAL CONFERENCE ON THE PHYSICS OF SEMICONDUCTORS, 2011, 1399
  • [3] Investigating the electronic properties of silicon nanosheets by first-principles calculations
    Chigo Anota, Ernesto
    Bautista Hernandez, Alejandro
    Castro, Miguel
    Hernandez Cocoletzi, Gregorio
    JOURNAL OF MOLECULAR MODELING, 2012, 18 (05) : 2147 - 2152
  • [4] First-principles calculations of optical properties: Application to silicon clusters
    Noguez, C
    Ulloa, SE
    PHYSICAL REVIEW B, 1997, 56 (15): : 9719 - 9725
  • [5] Investigating the electronic properties of silicon nanosheets by first-principles calculations
    Ernesto Chigo Anota
    Alejandro Bautista Hernández
    Miguel Castro
    Gregorio Hernández Cocoletzi
    Journal of Molecular Modeling, 2012, 18 : 2147 - 2152
  • [7] First-principles calculations of dielectric and optical properties of MgB2
    Balassis, A.
    Chulkov, E. V.
    Echenique, P. M.
    Silkin, V. M.
    PHYSICAL REVIEW B, 2008, 78 (22)
  • [8] Dielectric properties of ice and liquid water from first-principles calculations
    Lu, Deyu
    Gygi, Francois
    Galli, Giulia
    PHYSICAL REVIEW LETTERS, 2008, 100 (14)
  • [9] Influence of oxygen vacancies on the dielectric properties of hafnia: First-principles calculations
    Cockayne, Eric
    PHYSICAL REVIEW B, 2007, 75 (09)
  • [10] First-principles calculations of interstitial boron in silicon
    Hakala, M
    Puska, MJ
    Nieminen, RM
    PHYSICAL REVIEW B, 2000, 61 (12): : 8155 - 8161