Academic Journal
Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X = Fe, Ni, and Co) half-Heusler compounds
| العنوان: | Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X = Fe, Ni, and Co) half-Heusler compounds |
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| المؤلفون: | M. Mokhtari, F. Dahmane, G. Benabdellah, L. Zekri, S. Benalia, N. Zekri |
| المصدر: | Condensed Matter Physics, Vol 21, Iss 4, p 43705 (2018) |
| بيانات النشر: | Institute for Condensed Matter Physics |
| سنة النشر: | 2018 |
| المجموعة: | Directory of Open Access Journals: DOAJ Articles |
| مصطلحات موضوعية: | first-principles calculations, half-Heusler alloys, structural properties, magnetic properties, Physics, QC1-999 |
| الوصف: | 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. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 1607-324X 2224-9079 |
| Relation: | https://doi.org/10.5488/CMP.21.43705; https://doaj.org/toc/1607-324X; https://doaj.org/toc/2224-9079; https://doaj.org/article/4e4c7aa508974eea98fd39d1f9f55303 |
| DOI: | 10.5488/CMP.21.43705 |
| الاتاحة: | https://doi.org/10.5488/CMP.21.43705 https://doaj.org/article/4e4c7aa508974eea98fd39d1f9f55303 |
| رقم الانضمام: | edsbas.25F3E384 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 1607324X 22249079 |
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| DOI: | 10.5488/CMP.21.43705 |