Phase transitions, crystal growth
Melting criteria for classical and quantum crystals
M. N. Magomedov Institute of Geothermy Problems, Makhachkala, Russia
Abstract:
It was shown that the Lindemann ratio
$(L)$ can be calculated by means of the delocalized criterion of melting for classical crystals, i.e. those with a melting point
$(T_m)$ greater than the Debye temperature
$(\Theta): T_m/\Theta>$ 1.5. It was shown that for classical single-component crystals, the
$L$ value is determined only by the crystal structure. Calculations for various structures of classical crystals showed good agreement with the estimates of other authors. A generalization of the Lindemann relation was obtained for the case of quantum single-component crystals, i.e. for which
$T_m/\Theta <$ 0.4. It was shown that for quantum crystals, the Lindemann ratio is determined not only by the crystal structure, but also by the function
$\Theta/T_m$. Therefore, when moving from the classical to the quantum domain, the
$T_m(\Theta)$ function changes its functional dependence. It was shown that for quantum crystals, the
$L$ value decreases with increasing pressure along the melting line. For quantum nanocrystals, the
$L$ value increases with an isobaric decrease in the size of the nanocrystal. At the same time, the more noticeably the shape of the quantum nanocrystal deviates from the energy-optimal shape, the greater the sized increase in the Lindemann ratio. A generalization of the delocalized criterion of melting was obtained for the case of quantum single-component crystals.
Keywords:
melting, delocalization, Debye temperature, quantum crystal, nanocrystal, hydrogen, helium. Received: 19.07.2024
Revised: 02.10.2024
Accepted: 03.10.2024
DOI:
10.61011/FTT.2024.11.59334.200