| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 728089 | Materials Science in Semiconductor Processing | 2015 | 8 Pages |
Abstract
Full-potential linear muffin-tin (FP-LMTO) has been implanted within density functional theory (DFT) and within local density approximation. The structural and electronic properties of GaP, AlP and ScP binary compounds and their ternary alloys ScxAl1−xP and ScxGa1−xP over a whole range of compositions (0≤x≤1) and the superlattices Sc0.25Ga0.75P/Sc0.5Ga0.5P and Sc0.25Al0.75P/Sc0.5Ga0.5P in the zinc-blende structure are investigated. The calculated resulted gave reasonable agreements with other published data.
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Authors
S. Benalia, M. Merabet, D. Rached, Y. Al-Douri, B. Abidri, R. Khenata, M. Labair,