Abstract
Full-potential linear muffin-tin orbitals method has been implanted within density functional theory and within local density approximation. The structural and electronic properties of GaP and TlP binary compounds and their ternary alloys Gax Tl1-x P (x = 0,25, 05 or 0.75) in the zinc-blende structure were investigated and calculations obtained results gave reasonable agreements with other published data.
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