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Ground-state structure of coherent lattice-mismatched zinc-blendeA1−xBxCsemiconductor alloys (x=0.25and 0.75)
2008
Physical Review B
Using valence force-field and first-principles total-energy calculations, we investigate the relative stability of possible ground-state structures, famatinite, Q8, and Q16, proposed in previous ground-state searches for coherent lattice-mismatched zinc-blende A 1−x B x C ͑x = 0.25 and 0.75͒ semiconductor alloys. Our total-energy calculations show that among all the alloys, the Q8 or Q16 are the possible ground-state structures with the lowest total energies, whereas the famatinite structure is
doi:10.1103/physrevb.77.073305
fatcat:dtftirvecrayvfixdedwrlm7i4