All-electron theory of the coupling between laser-induced coherent phonons in bismuth
Eeuwe S. Zijlstra, Larisa L. Tatarinova, Martin E. Garcia
Abstract
Using first principles, all-electron calculations and dynamical simulations we study the behavior of the A1g and Eg coherent phonons induced in Bi by intense laser pulses. We determine the potential landscapes in the laser heated material and show that they exhibit phonon-softening, phonon-phonon coupling, and anharmonicities. As a consequence the Eg mode modulates the A1g oscillations and higher harmonics of both modes appear, which explains recent isotropic reflectivity measurements. Our results offer a unified description of the different experimental observations performed so far on bismuth.
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