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

Abstract:

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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.

Info:

Periodical:

Advanced Materials Research (Volumes 211-212)

Edited by:

Ran Chen

Pages:

1142-1146

DOI:

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

Citation:

M. G. Zhang et al., "The Study of the First Principle for Layer of Si/Ge", Advanced Materials Research, Vols. 211-212, pp. 1142-1146, 2011

Online since:

February 2011

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Price:

$35.00

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