A simple scheme based on pseudopotential and hard sphere results is used to evaluate the specific heat in the undercooled region (T< Tm) and in the higher temperature region (T > Tm) of liquid metals Na, K, Rb and Cs. The structure dependent part of the specific heat is found to increase in the undercooled region (T< Tm) with decreasing temperature and exhibits an inflection at a given temperature (TI). The results are discussed in the light of energetics and direct correlation function. We have also computed the diffusion coefficients which show T2-dependence in the undercooled region.
- diffusion coefficient
- Specific heat
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Electronic, Optical and Magnetic Materials
- Materials Chemistry
- Condensed Matter Physics