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Fizika Tverdogo Tela, 2024 Volume 66, Issue 11, Pages 1964–1972 (Mi ftt10486)

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



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© Steklov Math. Inst. of RAS, 2025