We outline a linear-chain model which is able to simulate fully the dynamics of a three-dimensional slab when some conditions are satisfied. This is achieved by allowing the force constants to have a dispersion which is fitted to neutron-scattering data. This procedure proves to be a useful tool for analyzing atom-scattering data of surface phonons in the framework of finite-chain calculations. Application to recent measurements in GaSe(001) and TaSe2(001) is made, showing that, in spite of a common contrary opinion, relevant changes are required in the surface force constants to account for surface-phonon anomalies. © 1988 The American Physical Society.
Miglio, L., Colombo, L. (1988). Dispersive-linear-chain approach to the interpretation of surface phonons - application to gase(001) and tase2(001). PHYSICAL REVIEW. B, CONDENSED MATTER, 37(6), 3025-3036 [10.1103/PhysRevB.37.3025].
Dispersive-linear-chain approach to the interpretation of surface phonons - application to gase(001) and tase2(001)
MIGLIO, LEONIDA;
1988
Abstract
We outline a linear-chain model which is able to simulate fully the dynamics of a three-dimensional slab when some conditions are satisfied. This is achieved by allowing the force constants to have a dispersion which is fitted to neutron-scattering data. This procedure proves to be a useful tool for analyzing atom-scattering data of surface phonons in the framework of finite-chain calculations. Application to recent measurements in GaSe(001) and TaSe2(001) is made, showing that, in spite of a common contrary opinion, relevant changes are required in the surface force constants to account for surface-phonon anomalies. © 1988 The American Physical Society.
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