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Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X $=$ Fe, Ni, and Co) half-Heusler compounds | M. Mokhtari
; F. Dahmane
; G. Benabdellah
; L. Zekri
; S. Benalia
; N. Zekri
; | Date: |
20 Dec 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
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 $1mu_ ext{B}$ and
$2mu_ ext{B}$ in good agreement with Slater-Pauling rule. These alloys seem
to be a potential candidate of spintronic devices. | Source: | arXiv, 1812.8559 | Services: | Forum | Review | PDF | Favorites |
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