𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional theoretical study of the structural, electronic and lattice dynamical properties of platinum pernitride

✍ Scribed by Himadri R. Soni; Sanjay D. Gupta; Sanjeev K. Gupta; Prafulla K. Jha


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
378 KB
Volume
406
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Density functional study of structural a
✍ Sunder Veliah; Ravindra Pandey; Y.S. Li; John M. Newsam; Behnam Vessal πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 286 KB

The structural and electronic properties of neutral cube-like MgO clusters comprising of 8, 18, 32, 48 and 64 atoms have been studied using density functional theory. Geometry optimization of all these stoichiometric clusters was done with C2v symmetry. The binding energy and the nearest-neighbor se

Structural, electronic, bonding, and ela
✍ 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