Calculation of energy relaxation rates of fast particles by phonons in crystals

We present ab initio calculations of the temperature-dependent exchange of energy between a classical charged point particle and the phonons of a crystalline material. The phonons, which are computed using density functional perturbation theory (DFPT) methods, interact with the moving particle via t...

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Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-03, Vol.91 (10), Article 104305
Main Authors: Prange, M. P., Campbell, L. W., Wu, D., Gao, F., Kerisit, S.
Format: Article
Language:English
Subjects:
Charged particles
Computation
Condensed matter
Density
Dispersions
Mathematical analysis
Perturbation theory
Phonons
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Summary:We present ab initio calculations of the temperature-dependent exchange of energy between a classical charged point particle and the phonons of a crystalline material. The phonons, which are computed using density functional perturbation theory (DFPT) methods, interact with the moving particle via the Coulomb interaction between the density induced in the material by phonon excitation and the charge of the classical particle. Energy relaxation rates are computed using time-dependent perturbation theory. The method, which is applicable wherever DFPT is, is illustrated with results for Csl, an important scintillator whose performance is affected by electron thermalization. We discuss the influence of the form assumed for quasiparticle dispersion on theoretical estimates of electron cooling rates.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.91.104305