An embedded-atom-method model for alkali-metal vibrations

Authors

R. B. Wilson, Utah State University
D. Mark Riffe, Utah State UniversityFollow

Document Type

Article

Journal/Book Title/Conference

Journal of Physics: Condensed Matter

Volume

24

Issue

33

Publication Date

2012

Abstract

We present an embedded-atom-method (EAM) model that accurately describes the vibrational dynamics in the alkali metals Li, Na, K, Rb and Cs. The bulk dispersion curves, frequency-moment Debye temperatures and temperature-dependent entropy Debye temperatures are all in excellent agreement with experimental results. The model is also well suited for studying surface vibrational dynamics in these materials, as illustrated by calculations for the Na(110) surface.

Comments

Published by Institute of Physics in Journal of Physics Condensed Matter/. Author post print is available for download through link above.

Recommended Citation

"An Embedded-Atom-Method Model for Alkali-Metal Vibrations," R. B. Wilson and D. M. Riffe, J. Phys.: Condens. Matter 24, 335401 (2012) (doi:10.1088/0953-8984/24/33/335401).