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Spin polarized bonding analysis of endohedral boron nitride nanocages: Density functional theory study

โœ Scribed by Ahmad Reza Oliaey; Asadollah Boshra; Mahyar Khavary


Book ID
104086991
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
462 KB
Volume
42
Category
Article
ISSN
1386-9477

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Density functional theory study of ultra
โœ Davoud Vahedi Fakhrabad; Tayebeh Movlarooy; Nasser Shahtahmassebi ๐Ÿ“‚ Article ๐Ÿ“… 2012 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 651 KB

## Abstract We present a first principles calculation on the electronic structure and optical properties of ultrasmallโ€diameter (2,2) boron nitride, silicon carbide, and carbon nanotubes (BNNT, SiCNT, and CNT) by using full potential linear augmented plane wave (FPโ€LAPW) and pseudo potential plane