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arXiv 2015-06-18 DOI 10.1103/PhysRevB.93.165119 0 views

Temperature dependent determination of electron heat capacity and electron-phonon factor for Fe₀.₇₂Cr₀.₁₈Ni₀.₁

Winter, Jan · Sotrop, Jürgen · Borek, Stephan · Huber, Heinz P. · Minár, Jan

Original · EN

A theoretical approach using ab initio calculations has been applied to study the interaction of an ultra-short laser pulse with the metal alloy Fe₀.₇₂Cr₀.₁₈Ni₀.₁ (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 Fe₀.₇₂Cr₀.₁₈Ni₀.₁ 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.

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