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2 Acta Physica Polonica A

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Pre-Melting in Cubic Structure with Relaxation

100%

Gwizdałła T. , Czerbniak J.

Acta Physica Polonica A

1998

tom 94

nr 5-6

785-793

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.

Influence of Correlated Thermal Vibrations on Temperature Dependence of Surface Peak

100%

Gwizdałła T. , Czerbniak J.

Acta Physica Polonica A

1996

tom 89

nr 1

61-67

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.