Cite this article:
Zhang Xiao-Jun, Zhang Jian-Min, Xu Ke-Wei. Calculation of phonon spectrum for noble metals by modified analytic embedded atom method (MAEAM)J. Chin. Phys. B, 2006, 15(9): 2108-2113.
| Zhang Xiao-Jun, Zhang Jian-Min, Xu Ke-Wei. Calculation of phonon spectrum for noble metals by modified analytic embedded atom method (MAEAM)J. Chin. Phys. B, 2006, 15(9): 2108-2113. |
Calculation of phonon spectrum for noble metals by modified analytic embedded atom method (MAEAM)
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Abstract
In the harmonic approximation, the atomic force constants are derived and the phonon dispersion curves along four major symmetry directions 00\zeta , 0\zeta \zeta , \zeta \zeta \zeta and 0\zeta 1 (or \varDelta , \varSigma, \varLambda and Z in group-theory notation) are calculated for four noble metals Cu, Ag, Au and Pt by combining the modified analytic embedded atom method (MAEAM) with the theory of lattice dynamics. A good agreement between calculations and measurements, especially for lower frequencies, shows that the MAEAM provides a reasonable description of lattice dynamics in noble metals. -
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