Simple calculation of the mean-square displacements of volume, (110) and (100) surface atoms of chromium

  • Masri P
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Abstract

We use an analytic method based on the expansion of the dynamical matrix to determine the thermal dependence of the mean-square displacements 〈u2〉 of volume, and (100) and (110) surface atoms of Cr. For the volume and (110) surface the results are in satisfactory agreement with previous X-ray and low-energy electron diffraction data. In particular, the zero-point thermal motion of Cr-volume atoms is approximately reached at temperatures as high as 170°K in accordance with experiments. A discussion about the temperature at which the atomic vibrations are strongly frozen is carried out for b.c.c. crystals. © 1973.

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Authors

  • P. Masri

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