The structural, optical and elastic properties of cubic HfO 2 were studied using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The groundstate properties such as lattice parameter and bulk modulus were calculated and these results a
First principles study of structural, elastic, electronic and optical properties of Nb2N and Ta2N compounds
โ Scribed by T. Chihi; J. C. Parlebas; M. Guemmaz
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 301 KB
- Volume
- 248
- Category
- Article
- ISSN
- 0370-1972
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