التفاصيل البيبلوغرافية
| العنوان: |
First-Principles Calculations Study of Structural, Elastic, Electronic and Optical Properties of Co2 − xVxFeGe Full-Heusler Alloys. |
| المؤلفون: |
Tahiri, A., Naji, M., Talha, L., Jabar, A., Ahfir, R., Filali, M., Idiri, M. |
| المصدر: |
Journal of Electronic Materials; Oct2023, Vol. 52 Issue 10, p6919-6928, 10p |
| مصطلحات موضوعية: |
OPTICAL properties, SPIN polarization, SPACE groups, OPTOELECTRONIC devices, CRYSTAL structure, HEUSLER alloys |
| مستخلص: |
Using the first-principles full-potential linearized augmented-plane-wave method with the GGA-PBE approximations, we have explored the structural, elastic, electronic, and optical characteristics of Co2−xVxFeGe. Our investigation reveals that the compound Co1.25V0.75FeGe exhibits ideal half-metallic ferromagnetism. Additionally, the compound Co2−xVxFeGe exhibits different crystal structures depending on the value of x. At x = 0.25, it has a cubic structure with a space group of P-43 m. However, at x values of 0.50 and 0.75, it undergoes a transition to a tetragonal structure with respective space groups of P42/mcm N◦ (132) and P-42 m (111). In these tetragonal structures, the compound displays anisotropic mechanical stability. Moreover, as the concentration of V increases, the volume gradually increases. These properties are crucial in determining the material's suitability for use in optoelectronic devices. The electronic properties of most of the compounds displayed half-metallicity and 100% spin polarization, particularly for the composition x = 0.75. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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