Influence of Correlated Thermal Vibrations on Temperature Dependence of Surface Peak
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The influence of correlation between thermal displacements of atoms in string on the calculated Rutherford backscattering spectra under channelling conditions was studied. This correlation was incorporated into the existing Monte Carlo computer code by means of sampling the displacements from distribution transformed by the variance-covariance matrix. Various methods of implementing the correlation into calculation were used. As a result the deformation of energy spectrum was obtained. The explicit decrease in surface peak due to the correlation was observed. The significance of this effect decreases with increasing temperature. Calculation were performed in a wide region of temperatures, up to the melting point.
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