Ab initio thermodynamics of metals: Al and W - art. no. 064305

We present an ab initio pseudopotential calculation of thermodynamic proper ties of aluminum and tungsten. The difference of almost one order of magnit ude of the experimental linear thermal expansion coefficients of these mate rials is well reproduced by our calculations and explained in terms of micr oscopic quantities. The specific heat is reported and compared with availab le experimental data. Mode-Gruneisen parameters, Debye temperature, and tem perature dependence of isothermal and adiabatic bulk modulus as well as the pressure dependence of compressibility complete the work.