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Total-energy calculations of HgS, HgSe, HgTe and their HgS x Se 1−x and HgS x Te 1−x ternary alloys using first principle full potential-linearized augmented plane wave (FP-LAPW) plus local orbital method within the density functional theory (DFT). The structural properties at equilibrium are investigated by using the new form of generalized gradient approximations...
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