MAEAM Investigation of Phonons for Alkali Metals

Details MAEAM Investigation of Phonons for Alkali Metals MAEAM Investigation of Phonons for Alkali Metals

Mar 2008

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008jltp..150..730z&link_type=abstract

Journal of Low Temperature Physics, Volume 150, Issue 5-6, pp. 730-738

Physics

Scientific paper

Within the harmonic approximation, the atomic force constants have been derived and the phonon dispersion curves along three major symmetry directions [00 ζ], [0 ζ ζ] and [ ζ ζ ζ] (or in group-theory notation Δ, Σ, and Λ) have been calculated for five alkali metals Li, Na, K, Rb and Cs by combining the modified analytic embedded atom method (MAEAM) with the theory of lattice dynamics. The results are in agreement with available experimental results for Li, Na and K, which may imply that the predicted phonon dispersion curves for Rb and Cs are correct.

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