G. Caglioti
Dipartimento di Ingegneria Nucleare, CESNEF - Politecnico di Milano, 20133 Milano, Italia;
INFM - Politecnico-Milano, Italia, GNSM-CNR, ur7, Politecnico-Milano, Italia
Inelastic neutron scattering in solids allows to measure the frequency vs wave vector dispersion relations
of the vibrational modes, w = w (qj).
These frequencies, multiplied by the Planck's constant, constitute the phonon energies defined as eigenvalues
of the Hamiltonian describing the dynamics of the atoms in the crystals. In a anharmonic crystal they depend
on volume V. These energy eigenvalues constitute the basic ingredients needed to construct the
partition function Z (T,V) and, via Z, the Helmholtz thermodynamic potential F.
The knowledge of F (T,V) enables one to derive a number of macroscopic properties of
the material, such as the specific heat at constant volume, the isothermal bulk modulus and the Grueneisen
parameter, of interest in many thermal and mechanical problems and applications.