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Structure, elastic and dynamical properties of KN3 and RbN3: A van der Waals density functional study

✍ Scribed by Ramesh Babu, K.; Vaitheeswaran, G.


Book ID
121784263
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
870 KB
Volume
23
Category
Article
ISSN
1293-2558

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✍ Ch. Bheema Lingam; K. Ramesh Babu; Surya P. Tewari; G. Vaitheeswaran πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 493 KB πŸ‘ 1 views

The structural, electronic, bonding, and elastic properties of the low-temperature orthorhombic phase of NH 3 BH 3 are studied by means of first-principles total energy calculations based on the pseudopotential method. The calculated structural parameters of NH 3 BH 3 are found to be in good agreeme