The Study of the First Principle for Layer of Si/Ge

Min Gang Zhang; Yuan Kun Lu; Wen Feng Liu

doi:10.4028/www.scientific.net/AMR.211-212.1142

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 211-212The Study of the First Principle for Layer of...

The Study of the First Principle for Layer of Si/Ge

Abstract:

Using the plane-wave ultrasoft pseudopotential method and generalized gradient approximation which based on the first-principles density functional theory, the bond length, energy band structure and density of states of the layer of Si/Ge were calculated. The results show that, compared with the single-crystal Si layers, Si-Ge bond length get longer and the population decrease in the layer of Si/Ge . It can be seen from the energy band structure that the band structure width of the layer of Si/Ge decreases. The optical properties calculations show that, compared with the single-crystal Si layers, the absorption band of the layer of Si/Ge get narrower, and the absorption band-edge obviously get red-shift.

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Periodical:

Advanced Materials Research (Volumes 211-212)

Pages:

1142-1146

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.211-212.1142

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Online since:

February 2011

Authors:

Min Gang Zhang, Yuan Kun Lu, Wen Feng Liu

Keywords:

First-Principle, Layer of Si/Ge, Optical Property

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References

[1] GAO Li-Ming. Computational Materials Science and the level of material structure. Journal of Ceramics. 2004, 25(2): 69-74.

Google Scholar

[2] GUO Jun-Mei, DENG De-Guo et al. Computational Materials Science and Materials Design. Precious Metals, 1999, 24(4): 62-67.

Google Scholar

[3] CHENG Liang-Yan, ZHANG Dao-li et al. The combination and bonding of Si (001) epitaxial ZnSe film interface atoms. Electronic Components & Materials. 2009, 28(8): 66-70.

Google Scholar

[4] V. Milman, S.J. Pennycook, D.E. Jesson. Ab initio total energy study of adsorption and diffusion on the Si(100) surface. Thin Solid Films. 1996, 272: 375-385.

DOI: 10.1016/0040-6090(95)06960-7

Google Scholar

[5] ZHANG-Yue, GU Jing-Hua et al. Fundamentals of Computational Materials Science. Beijing: The Press of Beijing University of Aeronautics and Astronautics. (2007).

Google Scholar

[6] Vanderbilt D, Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev, 1990, 41: 7892-7895.

DOI: 10.1103/physrevb.41.7892

Google Scholar

[7] Stampfl C, Van de Wall C G. Density-functional calculations for Ⅲ-Ⅴ nitrides using the local-density approximation and the generalized gradient approximation. Phys Rev B, 1999, 59: 5521.

DOI: 10.1103/physrevb.59.5521

Google Scholar

[8] John P Perdew, Michael R Norman. Electron removal energies in Kohn-Sham density-functional theory. Phys Rev B, 1982, 26: 5445.

DOI: 10.1103/physrevb.26.5445

Google Scholar