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First Principle Calculation of the Geometrical and Electronic Structure of Impurity-Doped β-FeSi2 Semiconductors

✍ Scribed by Jun-ichi Tani; Hiroyasu Kido


Book ID
111703696
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
330 KB
Volume
163
Category
Article
ISSN
0022-4596

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✍ Z.J. Pan; L.T. Zhang; J.S. Wu 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 247 KB

Electronic structure of ␤-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