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First principles study of CuAlO2doping with S

โœ Scribed by HaiGen Gao; Jian Zhou; MingHui Lu


Book ID
107363719
Publisher
Science in China Press (SCP)
Year
2010
Tongue
English
Weight
552 KB
Volume
53
Category
Article
ISSN
1672-1799

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First-principles study of electronic and
โœ Z.J. Pan; L.T. Zhang; J.S. Wu ๐Ÿ“‚ Article ๐Ÿ“… 2006 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 247 KB

Electronic structure of โค-FeSi 2 and density of states (DOS) of subshells of Fe and Si were calculated, using the self-consistent full-potential linearized augmented plane wave method within the density functional theory. The general gradient approximation was used to treat the exchange and correlat