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Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X = Fe, Ni, and Co) half-Heusler compounds.
- Source :
-
Condensed Matter Physics . 2018, Vol. 21 Issue 4, p1-9. 9p. - Publication Year :
- 2018
-
Abstract
- 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 GGAapproximation. 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 and 2B in good agreement with Slater-Pauling rule. These alloys seem to be a potential candidate of spintronic devices. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 1607324X
- Volume :
- 21
- Issue :
- 4
- Database :
- Academic Search Index
- Journal :
- Condensed Matter Physics
- Publication Type :
- Academic Journal
- Accession number :
- 134010410
- Full Text :
- https://doi.org/10.5488/CMP.21.43705