DFT study on thermo-elastic properties of Ru2FeZ (Z = Si, Ge, Sn) Heusler alloys
作者： Aneeza Iftikhar , Afaq Ahmad , Iftikhar Ahmad , Muhammad Rizwan
DOI: 10.1142/S0217979218500455
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摘要: We studied the thermo-elastic properties of Ru2FeZ (Z=Si, Ge, Sn) Heusler alloys within framework density functional theory. Thermo-elastic corresponding to elastic modulus, anisotropy, phase stability, wave velocities, thermal Debye temperature, melting conductivity and formation energy are calculated. The constants Cij predict structural dynamical stabilities while energies show stability at 0 K. Pugh’s Poisson’s ratios display ductile nature alloys. All anisotropic we also observed that Ru2FeSn is hardest material than Ru2FeSi Ru2FeGe. Moreover, longitudinal mode vibrations maximum along [100], [110] [111] directions transverse vibrations.
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