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Investigation of Structural, Elastic, Electronic, Magnetic and Thermoelectric Proprieties for Mn2RhZ (Z = Al, Si and Ge) Full-Heusler Alloys
In this study, we investigated the structural, elastic, electronic, magnetic and thermoelectric properties of Mn 2 RhZ (Z = Al, Si and Ge) full Heusler alloy via the full-potential linearized augmented plane wave (FP-LAPW) method. The calculated results reveal that the compound is more stable in the...
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Published in: | International journal of thermophysics 2021, Vol.42 (6), Article 86 |
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Main Authors: | , , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | In this study, we investigated the structural, elastic, electronic, magnetic and thermoelectric properties of Mn
2
RhZ (Z = Al, Si and Ge) full Heusler alloy via the full-potential linearized augmented plane wave (FP-LAPW) method. The calculated results reveal that the compound is more stable in the Hg
2
MnAl prototype into the ferromagnetic phase. The calculated elastic constants show that the compounds satisfy the criteria stability. Due to the strong correlation, we used also GGA-PBE to see the improvement of the electronic properties, the integer magnetic moment confirm the half-metallic behaviour of these compounds. Finally, the thermoelectric parameters are computed for 100 K–800 K temperature range to explore the potential of these compounds for applications in technological devices. |
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ISSN: | 0195-928X 1572-9567 |
DOI: | 10.1007/s10765-021-02841-w |