Please use this identifier to cite or link to this item: https://doi.org/10.1088/0953-8984/10/3/010
Title: First-principles calculations of GaAs1-xPx-Al0.3Ga0.7As(001) band offsets
Authors: Zhang, X.H.
Chua, S.J. 
Xu, S.J. 
Fan, W.J.
Issue Date: 26-Jan-1998
Citation: Zhang, X.H., Chua, S.J., Xu, S.J., Fan, W.J. (1998-01-26). First-principles calculations of GaAs1-xPx-Al0.3Ga0.7As(001) band offsets. Journal of Physics Condensed Matter 10 (3) : 577-580. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-8984/10/3/010
Abstract: The GaAs1-xPx-Al0.3Ga0.7As(001) band offsets are calculated for both the GaAs and (Al0.3Ga0.7)-(As1-xPx) interface bonds within first-principles local density functional theory. It is found that the band offsets are independent of the type of interfacial bond, while the valence band offset, VBO, decreases linearly with x as VBO = 0.143 - 0.153x eV and the inferred conduction band offset CBO (the band-gap difference minus the valence band offset) decreases linearly as CBO = 0.236 - 0.590x eV for 0.0 ≤ x ≤ 0.20.
Source Title: Journal of Physics Condensed Matter
URI: http://scholarbank.nus.edu.sg/handle/10635/80437
ISSN: 09538984
DOI: 10.1088/0953-8984/10/3/010
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