Prog. Theor. Phys. Vol. 59 No. 5 (1978) pp. 1407-1417

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Self-Consistent Einstein Model and Theory of Anharmonic Surface Vibration. II

— Face-Centered Cubic Lattice —

Toshio Hama and Takeo Matsubara

Department of Physics, Kyoto University, Kyoto 606

(Received December 27, 1977)

Abstract:

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.

URL : http://ptp.ipap.jp/link?PTP/59/1407/
DOI : 10.1143/PTP.59.1407

References:

T. Matsubara and K. Kamiya, Prog. Theor. Phys. 58 (1977), 767[PTP].
For instance, see Surface Physics of Materials, ed. by Blakely, Vol. II, Chap. 9 (Academic Press, 1975).
A. A. Maradudin, E. W. Montroll, G. H. Weiss and I. P. Ipatova, Solid State Phys. Suppl. 3 (Seitz-Turnbull 2nd Ed., Academic Press, 1971). See also Ref. 2).
A. V. MacRae, Surface Sci. 2 (1964), 522.
R. F. Wallis, B. C. Clark and R. Herman, Phys. Rev. 167 (1968), 652[APS].
T. Matsubara, Y. Iwase and A. Momokita, Prog. Theor. Phys. 58 (1977), 1102[PTP].
R. F. Wallis, B. C. Clark, R. Herman and D. C. Gazis, Phys. Rev. 180 (1969), 716[APS].

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