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26 April 2024 |
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Article overview
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Electronic structures of III-V zinc-blende semiconductors from atomistic first principles | | Yin Wang
; Haitao Yin
; Ronggen Cao
; Ferdows Zahid
; Yu Zhu
; Lei Liu
; Jian Wang
; Hong Guo
; | | Date: |
29 Mar 2013 | | Abstract: | For analyzing quantum transport in semiconductor devices, accurate electronic
structures are critical for quantitative predictions. Here we report
theoretical analysis of electronic structures of all III-V zinc-blende
semiconductor compounds. Our calculations are from density functional theory
with the semi-local exchange proposed recently [F. Tran and P. Blaha, Phys.
Rev. Lett. 102, 226401 (2009)], within the linear muffin tin orbital scheme.
The calculated band gaps and effective masses are compared to experimental data
and good quantitative agreement is obtained. Using the theoretical scheme
presented here, quantum transport in nanostructures of III-V compounds can be
confidently predicted. | | Source: | arXiv, 1303.7419 | | Services: | Forum | Review | PDF | Favorites | |
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