First-principles calculations of GaAs1-xPx-Al0.3Ga0.7As(001) band offsets

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
Appears in Collections:	Staff Publications

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