Lattice mechanical properties of Rh0.6Ag0.4 and Rh0.8Ag0.2: A pseudopotential approach

Nupur P. Vora, Priyank V. Kumar, S. Vyas, N. K. Bhatt, P. R. Vyas, V. Gohel
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Abstract

Transition metal alloys are valuable in material science research. In the present communication, Transition Metal Pseudopotential has been used to investigate lattice dynamics in symmetry and non-symmetry directions for binary alloy h ( = 0.6, 0.8). In absence of any neutron scattering data and theoretical results, we present theoretical results which may be considered as a prediction. Further, we have studied temperature variation of Debye temperature ( ) and dynamical elastic constants ( , and ). As experimental results are not available for elastic constants, we have compared our results with the values obtained by first principles method. Presently obtained results are comparable with such theoretical results.
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Rh0.6Ag0.4和Rh0.8Ag0.2的晶格力学性能:赝势方法
过渡金属合金在材料科学研究中具有重要的应用价值。本文利用过渡金属赝势研究了二元合金h(= 0.6, 0.8)对称和非对称方向上的晶格动力学。在没有任何中子散射数据和理论结果的情况下,我们提出的理论结果可以被认为是一个预测。进一步,我们研究了德拜温度()和动力弹性常数()的温度变化。由于没有弹性常数的实验结果,我们将结果与第一性原理法得到的结果进行了比较。目前得到的结果与理论结果相当。
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