| Autor: |
Miroshkina, Olga N., Baigutlin, Danil R., Sokolovskiy, Vladimir V., Zagrebin, Mikhail A., Pulkkinen, Aki, Barbiellini, Bernardo, Lähderanta, Erkki, Buchelnikov, Vasiliy D. |
| Rok vydání: |
2020 |
| Předmět: |
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| Zdroj: |
Journal of Applied Physics 127, 175108 (2020) |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1063/5.0006201 |
| Popis: |
We consider two cobalt-based full-Heusler compounds CoFeTiAl and Co$_2$FeSi, 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 Co$_2$FeSi. In particular, we find a better agreement with the experiment for the magnetic moment and the energy-band gap. Moreover, our calculations show that pressure enhances the insulating properties of Co$_2$FeSi and CoTiFeAl. |
| Databáze: |
arXiv |
| Externí odkaz: |
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