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Abstract:
Combining MAEAM with the lattice dynamics, the atomic force constants and phonon dispersion curves have been obtained along five symmetry directions [00 zeta], [0 zeta zeta], [zeta zeta zeta], [1/2 1/2 zeta] and [zeta zeta 1] for three BCC transition metals Ta, W and Mo within interactions out to the sixth neighbors. The calculated results that are nearly in agreement with available experimental results along [00 zeta], [0 zeta zeta] and [zeta zeta zeta] directions implies that the predicted phonon dispersion curves along [1/2 1/2 zeta] and [zeta zeta 1] directions are well behaved. Along each symmetry 2 9 direction, the vibration frequency that increases for Ta, W and Mo successively may be related to the ratio of cohesive energy E-c to mass M. (c) 2606 Elsevier B.V. All rights reserved.
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PHYSICA B-CONDENSED MATTER
ISSN: 0921-4526
Year: 2007
Issue: 2
Volume: 391
Page: 286-291
0 . 7 5 1
JCR@2007
2 . 4 3 6
JCR@2020
ESI Discipline: PHYSICS;
JCR Journal Grade:3
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 6
SCOPUS Cited Count: 7
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 3
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