
arXiv: 1110.4534
handle: 20.500.14243/12265
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)
[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
[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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