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

## Abstract

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 mov- ing 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 CsI, an important scintillator whose performance is affected by electron thermal- ization. We discuss the influence of the form assumed for quasiparticle dispersion on theoretical estimates of electron cooling rates.

- Authors:

- Publication Date:

- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

- Sponsoring Org.:
- USDOE

- OSTI Identifier:
- 1188895

- Report Number(s):
- PNNL-SA-106420

NN2001000

- DOE Contract Number:
- AC05-76RL01830

- Resource Type:
- Journal Article

- Resource Relation:
- Journal Name: Physical Review. B, Condensed Matter, 91(10):Article No. 104305

- Country of Publication:
- United States

- Language:
- English

- Subject:
- electron-phonon interaction, scintillators

### Citation Formats

```
Prange, Micah P., Campbell, Luke W., Wu, Dangxin, Gao, Fei, and Kerisit, Sebastien N..
```*Calculation of energy relaxation rates of fast particles by phonons in crystals*. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.91.104305.

```
Prange, Micah P., Campbell, Luke W., Wu, Dangxin, Gao, Fei, & Kerisit, Sebastien N..
```*Calculation of energy relaxation rates of fast particles by phonons in crystals*. United States. doi:10.1103/PhysRevB.91.104305.

```
Prange, Micah P., Campbell, Luke W., Wu, Dangxin, Gao, Fei, and Kerisit, Sebastien N.. Sun .
"Calculation of energy relaxation rates of fast particles by phonons in crystals". United States.
doi:10.1103/PhysRevB.91.104305.
```

```
@article{osti_1188895,
```

title = {Calculation of energy relaxation rates of fast particles by phonons in crystals},

author = {Prange, Micah P. and Campbell, Luke W. and Wu, Dangxin and Gao, Fei and Kerisit, Sebastien N.},

abstractNote = {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 mov- ing 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 CsI, an important scintillator whose performance is affected by electron thermal- ization. We discuss the influence of the form assumed for quasiparticle dispersion on theoretical estimates of electron cooling rates.},

doi = {10.1103/PhysRevB.91.104305},

journal = {Physical Review. B, Condensed Matter, 91(10):Article No. 104305},

number = ,

volume = ,

place = {United States},

year = {Sun Mar 01 00:00:00 EST 2015},

month = {Sun Mar 01 00:00:00 EST 2015}

}