Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Lalhriatpuia Hnamte"'
Publikováno v:
Heliyon, Vol 5, Iss 3, Pp e01155- (2019)
Ab initio calculation of the Elastic and Optical properties of cubic half-Heusler compounds MCoSb (M = Ti, Zr and Hf) are reported using the FP-LAPW approach of the Density Functional Theory. Generalized Gradient Approximation was used as the exchang
Externí odkaz:
https://doaj.org/article/88766ffe31a74b35abbdceed7150b20d
Publikováno v:
Journal of Physics and Chemistry of Solids. 129:188-195
In this study, the electronic and optical properties of the double perovskite (DP) oxides Pb2ScMO6 (M = Sb, Ta) were systematically investigated using the full-potential linearized augmented plane wave model. Calculations were performed using both th
Publikováno v:
Heliyon, Vol 5, Iss 3, Pp e01155-(2019)
Heliyon
Heliyon
Ab initio calculation of the Elastic and Optical properties of cubic half-Heusler compounds MCoSb (M = Ti, Zr and Hf) are reported using the FP-LAPW approach of the Density Functional Theory. Generalized Gradient Approximation was used as the exchang
Publikováno v:
AIP Conference Proceedings.
The calculation is carried out using the FPLAPW method in the DFT framework within mBJ and LDA using the WIEN2k code. The investigation of electronic properties showed Ba2VMoO6 to be semi-metal in spin-up and insulation in spin down. In both spin up
Publikováno v:
2016 International Conference on Electrical, Electronics, and Optimization Techniques (ICEEOT).
The optimized crystal structure, energy band structures, density of states (DOS) of BAs were investigated using full potential linearized augmented plane wave method (FP-LAPW). The exchange-correlation potential was treated using the generalized grad