Theoretical debye-waller factors for the (100) and (110) surfaces of tungsten |
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Authors: | R.F. Wallis D.J. Cheng |
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Affiliation: | Department of Physics University of California, Irvine Irvine, California 92717 USA |
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Abstract: | The ratios of the atomic mean square displacements at the (100) and (110) surfaces to those in the bulk have been calculated as a function of temperature for the body-centered cubic crystal tungsten. The calculations have been carried out for a slab-shaped crystal in which the atoms interact through central potentials up to fourth neighbors and through a harmonic angle-bending interaction involving pairs of nearest neighbors. The required averages over the two-dimensional Brillouin zone were obtained using sets of special points which are most efficient in finding such averages. A comparison between the theoretical results and the available experimental data is given. |
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