XIE You1,2, ZHANG Jian-min1*
(1 College of Physics and Information Technology, Shaanxi Normal University,Xi′an 710062, Shaanxi, China;2 College of Sciences, Xi′an University of Science and Technology, Xi′an 710054, Shaanxi, China)
Abstract:
Combining the modified analytic embedded atom method (MAEAM) with the theory of lattice dynamics, the phonon dispersion curves along four symmetry and four off-symmetry directions are calculated. The results showed that the phonon dispersion curves are in good agreement with the available experimental data except for that of Rh, Ir and Pb, which implies that the predicted phonon dispersion along off-symmetry directions are well behaved. It is further proved that the MAEAM gives a good description of many-body interatomic interactions in FCC metals. For seven FCC metals, the phonon frequency decreases for Al、Ni、Rh、Ir、Pd、Pt and Pb successively due to the ratio of the cohesion energy to the atom mass decreases.
KeyWords:
Face Center Cubic metals; phonon dispersion; off-symmetry direction
