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Density-functional electronic structure calculations for native defects and Cu impurities in CdS

✍ Scribed by Nishidate, Kazume; Sato, Takuya; Matsukura, Yuta; Baba, Mamoru; Hasegawa, Masayuki; Sasaki, Taizo


Book ID
121414348
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
449 KB
Volume
74
Category
Article
ISSN
1098-0121

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Based on first-principles spin-polarized density functional theory calculations, the electronic and magnetic properties of nitrogen-doped monoclinic Ξ²-phase gallium oxide are investigated. Calculations predict that the spin-polarized state is stable with a magnetic moment of about 1.0 Β΅ B per nitrog