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Density functional theory study on crystal nickel phosphides

โœ Scribed by Jun REN; Jian-guo WANG; Jun-fen LI; Yong-wang LI


Publisher
Elsevier
Year
2007
Tongue
Chinese
Weight
305 KB
Volume
35
Category
Article
ISSN
1872-5813

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A density functional study of small nick
โœ M. C. Michelini; R. Pis Diez; A. H. Jubert ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 304 KB ๐Ÿ‘ 2 views

Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra