Structural phase stability and elastic properties of refractory carbides
β Scribed by Purvee Bhardwaj; Sadhna Singh
- Book ID
- 118455087
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 711 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0263-4368
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The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained l
The structural stability, electronic and elastic properties of ScN under high pressure were investigated by using full-potential linearized augmented plane-wave (FP-LAPW) method. Our calculations indicate that there exists a pressure-induced structural phase transformation from the ambient rock-salt