Temperature dependent determination of electron heat capacity and electron-phonon factor for Fe${}_{0.72}$Cr${}_{0.18}$Ni${}_{0.1}$

Abstract

A theoretical approach using ab initio calculations has been applied to study the interaction of an ultra-short laser pulse with the metal alloy Fe${}_{0.72}$Cr${}_{0.18}$Ni${}_{0.1}$ (AISI 304). The electronic structure is simulated by taking into account the chemical and magnetic disorder of the alloy by the coherent potential approximation implemented in a fully relativistic Korringa-Kohn-Rostoker-formalism in the framework of spin density functional theory. Utilizing these predictions we determined the electron heat capacity and the electron-phonon coupling factor of Fe${}_{0.72}$Cr${}_{0.18}$Ni${}_{0.1}$ in dependence on the electron temperature for two-temperature model applications. Compared with pure Fe a maximum deviation of 5~\% for the electron heat capacity and 25~\% for the electron-phonon coupling factor is found.