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• W3133778052 endingPage "11319" @default.
• W3133778052 startingPage "11305" @default.
• W3133778052 abstract "The structural, electronic, magnetic, mechanical and thermodynamic properties of the Mn2PtCo Heusler alloy have been investigated in the frame work of density functional theory (DFT). The cohesive energies confirm the Cu2MnAl-prototype structure of Mn2PtCo with the ferromagnetic phase. The spin polarized electronic band profile of the Mn2PtCo exhibits its metallic character by considering the generalized gradient approximation (GGA) and modified Becke-Johnson (GGA-mBJ) approximation in the calculations. The magnetic moment is calculated to ~9 μB and it is in accordance with the Slater-Pauling rule. From the analysis of mechanical properties the brittle nature is anticipated. Further to seek the applications of Mn2PtCo in device fabrication, the thermodynamic properties like entropy, heat capacity at constant volume, Debye temperature, Gruneisen parameter and thermal expansion coefficient within the temperature and pressure range of 0 to 1000 K and 0 to 24 GPa, respectively have also been estimated." @default.
• W3133778052 created "2021-03-15" @default.
• W3133778052 creator A5003467747 @default.
• W3133778052 creator A5022389091 @default.
• W3133778052 creator A5048943029 @default.
• W3133778052 creator A5063825312 @default.
• W3133778052 creator A5090278528 @default.
• W3133778052 date "2021-03-02" @default.
• W3133778052 modified "2023-10-05" @default.
• W3133778052 title "First‐principles study on structural, electronic, magnetic, elastic, mechanical and thermodynamic properties of <scp> Mn ₂ PtCo </scp> Heusler alloy" @default.
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• W3133778052 doi "https://doi.org/10.1002/er.6559" @default.

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