"An Embedded-Atom-Method Model for Alkali-Metal Vibrations" by D. Mark Riffe and Richard B. Wilson
 

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Document Type

Article

Journal/Book Title/Conference

Journal of Physics Condensed Matter

Volume

24

Issue

33

Publication Date

8-22-2012

Abstract

We present an embedded-atom-method (EAM) model that accurately describes vibrational dynamics in the alkali metals Li, Na, K, Rb, and Cs. 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.

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