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First principle local density approximation description of the electronic properties of ferroelectric sodium nitrite

✍ Scribed by C.E. Ekuma; M. Jarrell; J. Moreno; L. Franklin; G.L. Zhao; J.T. Wang; D. Bagayoko


Book ID
119322333
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
344 KB
Volume
136
Category
Article
ISSN
0254-0584

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Ab-initio local density approximation de
✍ E.C. Ekuma; L. Franklin; G.L. Zhao; J.T. Wang; D. Bagayoko πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 245 KB

Ab-initio, self-consistent electronic energy bands of zinc blende CdS are reported within the local density functional approximation (LDA). Our first principle, non-relativistic and ground state calculations employed a local density potential and the linear combination of atomic orbitals (LCAO). Wit