Electronic Properties of Zirconium Carbide by using Full-Potential Linearized Augmented Plane Wave Method (FP-LAPW):A first principle study

Leishangthem Devi, Ram Thapa
2016 International Journal of Scientific Engineering and Applied Science (IJSEAS)   unpublished
In this paper, we have study the density of state (DOS) and band structures of Zirconium Carbide by using full-potential linearized augmented plane wave method (FP-LAPW) base on density functional theory (DFT) within generalized gradient approximation (GGA). We have calculated the optimized lattice constant of ZrC and used it to find the DOS and the band structures. The results shows ZrC to be metallic.
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