Anomalous temperature dependence of elastic constant c in V, Nb, Ta, Pd, and Pt

L. Huang (1) , M. Ramzan (1) , L. Vitos (1, 2) , B. Johansson (1) , R. Ahuja (1)

1 Department of Physics
2 Research Institute for Solid Stade Physics and Optics

The anomalous temperature dependence of elastic constant c for elements V, Nb, Ta, Pd, and Pt, has been calculated using first-principles theory. It is shown that the variation of elastic constant for simple elements can be approximated as the sum of thermal expansion and electronic components. The thermal expansion contributes the normal linearly decreasing effect to the elastic constant with temperature, while electronic contribution is determined by the unique character of electronic structure of elements and leads to the anomalous effect to the elastic constant with temperature.

Mots clés: Physical Sciences

L. Huang, M. Ramzan, L. Vitos, B. Johansson, R. Ahuja. Anomalous temperature dependence of elastic constant c in V, Nb, Ta, Pd, and Pt. Journal of Physics and Chemistry of Solids, 2010, 71 (8), pp.1065. ⟨10.1016/j.jpcs.2010.03.007⟩. ⟨hal-00661916⟩