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Proceedings Paper

First-principles calculations of band-gap properties of zinc-blende BxGa1-xN and BxGa1-xNyAs1-y alloys
Author(s): Kun-He Lv; Qi Wang; Ying-Ce Yan; Xin Guo; Yong-Qing Huang; Xiao-Min Ren
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Paper Abstract

We present first-principles calculations of the band-gap properties of the zinc-blende BN, GaN and BxGa1-xN alloys. By 16-atom supercells to model a random alloy, the direct band-gap (Γ15v1c) bowing of 5.0 eV is obtained for BxGa1-xN alloys in the range of 0~37.5%, and the bowing parameter increases by 0.043eV/%B with boron (B) composition increasing. In addition, our calculated results show that 0.8eV (1550nm) direct transition band-gap energy of BxGa1-xNyAs1-y lattice matches to Si can be theoretically obtained while boron (B) composition is 4% and nitrogen (N) composition is 16%.

Paper Details

Date Published: 1 December 2011
PDF: 7 pages
Proc. SPIE 8198, 2011 International Conference on Optical Instruments and Technology: Optoelectronic Devices and Integration, 819807 (1 December 2011); doi: 10.1117/12.921316
Show Author Affiliations
Kun-He Lv, Beijing Univ. of Posts and Telecommunications (China)
Qi Wang, Beijing Univ. of Posts and Telecommunications (China)
Ying-Ce Yan, Beijing Univ. of Posts and Telecommunications (China)
Xin Guo, Beijing Univ. of Posts and Telecommunications (China)
Yong-Qing Huang, Beijing Univ. of Posts and Telecommunications (China)
Xiao-Min Ren, Beijing Univ. of Posts and Telecommunications (China)


Published in SPIE Proceedings Vol. 8198:
2011 International Conference on Optical Instruments and Technology: Optoelectronic Devices and Integration

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