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Orbital order in NaTiO2: A first principles study

✍ Scribed by Monika Dhariwal; T. Maitra; Ishwar Singh; S. Koley; A. Taraphder


Book ID
119373329
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
653 KB
Volume
152
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES


A first-principles study
✍ Miura, Yoshio; Nagao, Kazutaka; Shirai, Masafumi πŸ“‚ Article πŸ“… 2004 πŸ› The American Physical Society 🌐 English βš– 129 KB
A first-principles study
✍ Miura, Yoshio; Nagao, Kazutaka; Shirai, Masafumi πŸ“‚ Article πŸ“… 2004 πŸ› The American Physical Society 🌐 English βš– 129 KB

We investigate the atomic disorder effects on the half-metallicity of the full-Heusler alloy Co 2 (Cr 1Οͺx Fe x )Al from first principles by using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Our results show that disorder between Cr and Al does not significantly reduc