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Electronic Structure Theory of Dilute Impurity Alloys: GaBiP and GaBiAs
18 Jan 2013 | | Contributor(s):: M. Usman
We report an atomistic model established for electronic structure calculations of GaBiAs (0 < Bi < 12%) alloys based on empirical tight binding parameters. Alloy supercells consisting of 1000 and 8000 atoms are relaxed using valence force field (VFF) method, including anharmonic corrections to...