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Pre-Melting in Cubic Structure with Relaxation

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EN
We study the effect of melting of well-defined crystal surface within the frame of theory of atomic vibrations in harmonic approximation. We find that for two types of cubic crystal lattice: face centered cubic and body centered cubic, we may expect the existence of pre-melting. It is also shown that the occurrence or absence of surface melting depends strongly on the relaxation of lattice constant.
EN
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.
EN
The differences in the Rutherford backscattering angular spectra measured for 100 keV hydrogen atoms H^0 and protons H^+ backscattered from Si crystal are reported and analysed. It was shown that the H^0 atom beam is better channelled in the pure crystal and is much more sensitive to the crystal surface coverage, particularly Au layer than the H^+ ion beam. The deep crystal regions seem to strengthen this differences.
EN
The Rutherford backscattering angular scattering yields for 100 keV H^+ and H^0 projectiles from Si crystal was measured. The analysis of results using Monte Carlo simulations leads to the conclusion that H^0 beam suffers smaller dispersion than H^+ beam, when crossing crystal surface. It means that the H^0 scattering probability is smaller at large impact parameters. For greater penetration depth the channeling process turns out to be the same.
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