Self-Consistent Einstein Model and Theory of Anharmonic Surface Vibration. II: Face-Centered Cubic Lattice | Zendy

T. Hama | Zendy; T. Matsubara | Zendy

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Self-Consistent Einstein Model and Theory of Anharmonic Surface Vibration. II: Face-Centered Cubic Lattice

Author(s) -

T. Hama,

T. Matsubara

Publication year - 1978

Publication title -

progress of theoretical physics

Language(s) - English

Resource type - Journals

eISSN - 1347-4081

pISSN - 0033-068X

DOI - 10.1143/ptp.59.1407

Subject(s) - anharmonicity , physics , einstein , lattice (music) , gaussian , lattice constant , interatomic potential , cubic crystal system , lattice vibration , softening , condensed matter physics , mean squared displacement , vibration , quantum mechanics , phonon , molecular dynamics , diffraction , acoustics

The self-consistent Einstein model developed in I is applied to an FCC lattice in order to discuss the softening of the surface lattice vibration and surface lattice relaxation in FCC metals. Under an approximation where only the nearest neighbour interatomic interactions are taken into account, the mean square displacement, average Einstein frequency of surface atom, the effective interatomic potential and the surface lattice constant are self-consistently determined. Numerical calculation is performed for Ni, using a Gaussian potential which has been determined in a previous paper, and the results are compared with the experiments.

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