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Mechanical lattice instability and thermodynamical properties in classical solids

Authors: G Rastelli; E Cappelluti;

Mechanical lattice instability and thermodynamical properties in classical solids

Abstract

In this paper we revisit the onset of the instability of the solid state in classical systems within self-consistent phonon theory (SCPT). Spanning the whole phase diagram versus volume and versus pressure, we identify two different kinds of mechanism: one mainly relevant at constant volume, associated with the vanishing of the SCPT solution; and one related to the disappearing at a spinodal temperature of the solid phase as a metastable energy minimum. We show how the first mechanism occurs at extremely high temperatures and it is not reflected in any singular behavior of the thermodynamical properties. In contrast, the second one appears at physical temperatures which correlate well with the melting temperature and it is signalized by the divergence of the thermal compressibility as well as of the the lattice expansion coefficient.

(submitted to PRB)

Countries
Italy, Italy, France
Keywords

[PHYS.PHYS.PHYS-CLASS-PH]Physics [physics]/Physics [physics]/Classical Physics [physics.class-ph], Statistical Mechanics (cond-mat.stat-mech), PACS: 63.10.+a, 62.50.-p, 64.70.dm, FOS: Physical sciences, General theory of the solid-liquid transition, 68.35.Rh, EQUATION-OF-STATE, Overheating, 530, Phase transitions and critical phenomena, STABILITY LIMIT, High-pressure effects in solids, PHASE-TRANSITIONS, CONSISTENT PHONON APPROXIMATION, [PHYS.COND.CM-SM]Physics [physics]/Condensed Matter [cond-mat]/Statistical Mechanics [cond-mat.stat-mech], CRYSTALLINE SOLIDS, General theory of the lattice dynamics, Condensed Matter - Statistical Mechanics

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
6
Average
Average
Average
Green
bronze