Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X = Fe, Ni, and Co) half-Heusler compounds
| Autor: | M. Mokhtari, F. Dahmane, G. Benabdellah, L. Zekri, S. Benalia, N. Zekri |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Condensed Matter Physics, Vol 21, Iss 4, p 43705 (2018) |
| Druh dokumentu: | article |
| ISSN: | 1607-324X 2224-9079 |
| DOI: | 10.5488/CMP.21.43705 |
| Popis: | The structural, electronic and magnetic properties of half-Heusler compounds XVSb (X = Fe, Co and Ni) are investigated by using the density functional theory with generalized gradient approximation (GGA), and Tran-Blaha modified Becke-Johnson (TB-mBJ) exchange potential approximation. It is found that the half-metallic gaps are generally reasonably widened by mBJ as compared to the GGA approximation. The magnetic proprieties of XVSb (X = Fe, Co and Ni) are well defined within mBJ with an exact integer value of magnetic moment. The band gaps given by TB-mBJ are in good agreement with the available theoretical data. The FeVSb exhibits a semiconductor nature. The CoVSb and NiVSb present half-metallic behaviour with total magnetic moment of 1μ_B and 2μ_B in good agreement with Slater-Pauling rule. These alloys seem to be a potential candidate of spintronic devices. |
| Databáze: | Directory of Open Access Journals |
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