The Effect of Temperature on Lattice Mechanical Properties of Noble and Transition Metals

Author: Baria J.K.

Source: Czechoslovak Journal of Physics, Volume 54, Number 5, May 2004 , pp. 575-595(21)

Publisher: Springer

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Abstract:

A simple pseudopotential model is used for the calculation of the temperature dependence of lattice mechanical properties which also depend on the phonon density of states such as lattice heat capacity C_V, Debye temperature THgr

_D, harmonic contribution to free energy, thermal pressure, isothermal bulk modulus corrected to the fourth order, volume thermal expansion coefficient beta

, Debye-Waller factor, mean-square displacement, Debye-Waller temperature parameter, and X-ray characteristic temperature THgr

_M of Cu, Ag, Au, Ni, Pd, Pt, Rh, and Ir. The contribution of d-like electrons is taken into account by introducing repulsive short-range Born-Mayer-like term. Very recently proposed screening function due to Sarkar et al. has been used to obtain the screened form factor. The theoretical results are compared with experimental findings wherever possible. A good agreement between theoretical investigations and experimental findings show the ability of our model potential to reproduce wide class of properties in noble and transition metals.

Keywords: Debye temperature; Debye-Waller factor; X-ray characteristic temperature; isothermal bulk modulus

Document Type: Research article

DOI: http://dx.doi.org/10.1023/B:CJOP.0000024960.14537.dd

Affiliations: 1: V. P. & R. P. T. P. Science College, Vallabh Vidyanagar - 388 120, Gujarat, India

Publication date: 2004-05-01