Browsing Conference Papers by Subject "Density functional theory (DFT)"
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Modeling of structural properties of hexagonal semiconductors
(Malaysian Technical Universities Network (MTUN), 2012-11-20)Bulk modulus of hexagonal structure semiconductors are calculated by using density functional theory (DFT) of full-potential linear augmented plane wave (FP-LAPW) within general gradient approximation (GGA). In this work, ...