Calculations of Phonon Density of States and Heating Rate by Molecular Dynamics in L1$_{0}$ FePt

Abstract

In this work, lattice dynamics is utilized to calculate the phonon spectrum of L1 <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0</sub> -FePt crystal and molecular dynamic (MD) method is constructed to calculate the phonon density of state (PDOS), which can be compared to the result of lattice dynamics. By the phonon spectrum and PDOS, the optimum mode and frequency of the laser to activate phonons is found in L1 <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">0</sub> -FePt, and the heating rate using different frequency and mode of the laser has been schematically simulated by MD method.