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Electronic and Lattice Vibrational Properties of BaSi2from Density Functional Theory Calculations

โœ Scribed by H. Peng; C. L. Wang; J. C. Li; R. Z. Zhang; H. C. Wang; Y. Sun; M. Sheng


Book ID
107457139
Publisher
Springer US
Year
2011
Tongue
English
Weight
358 KB
Volume
40
Category
Article
ISSN
0361-5235

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Based on first-principles spin-polarized density functional theory calculations, the electronic and magnetic properties of nitrogen-doped monoclinic ฮฒ-phase gallium oxide are investigated. Calculations predict that the spin-polarized state is stable with a magnetic moment of about 1.0 ยต B per nitrog