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Can I read Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl on EtoBox?
Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl by Olga N. Miroshkina; Danil R. Baigutlin; Vladimir V. Sokolovskiy; Mikhail A. Zagrebin; Aki Pulkkinen; Bernardo Barbiellini; Erkki Lähderanta; Vasiliy D. Buchelnikov is a Physics and Astronomy article available to read on EtoBox.
What is Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl about?
We consider two cobalt-based full-Heusler compounds, CoFeTiAl and Co2FeSi, for which Coulomb correlation effects play an important role. Since the standard GGA scheme does not provide a precise description of the electronic properties near the Fermi level, we use a meta-GGA functional capable to improve the description of the electronic properties of CoFeTiAl and Co2FeSi. In particular, we find a better agreement with the experiment for the magnetic moment and the energy bandgap. Moreover, our calculations show that pressure enhances the insulating properties of Co2FeSi and CoTiFeAl.
Who reads Exchange-correlation corrections for electronic properties of half-metallic Co2FeSi and nonmagnetic semiconductor CoFeTiAl?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Olga N. Miroshkina; Danil R. Baigutlin; Vladimir V. Sokolovskiy; Mikhail A. Zagrebin; Aki Pulkkinen; Bernardo Barbiellini; Erkki Lähderanta; Vasiliy D. Buchelnikov
- Publisher
- American Institute of Physics; AIP Publishing; Publons (ISSN 0021-8979)
- Published
- 2020
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)