Superconductivity and lattice instability in face-centered cubic lanthanum under high pressure

The lattice dynamics and superconductivity of face-centered cubic (fcc) La under pressure are extensively studied using the linear-response methods within the framework of density-functional theory. A pressure-induced softening transverse acoustic (TA) phonon mode at the L point of the Brillouin zon...

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Veröffentlicht in:Journal of physics. Condensed matter 2007-10, Vol.19 (42), p.425234-425234 (9)
Hauptverfasser: Gao, G Y, Niu, Y L, Cui, T, Zhang, L J, Li, Y, Xie, Y, He, Z, Ma, Y M, Zou, G T
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container_end_page 425234 (9)
container_issue 42
container_start_page 425234
container_title Journal of physics. Condensed matter
container_volume 19
creator Gao, G Y
Niu, Y L
Cui, T
Zhang, L J
Li, Y
Xie, Y
He, Z
Ma, Y M
Zou, G T
description The lattice dynamics and superconductivity of face-centered cubic (fcc) La under pressure are extensively studied using the linear-response methods within the framework of density-functional theory. A pressure-induced softening transverse acoustic (TA) phonon mode at the L point of the Brillouin zone is identified and the phonon softening pressure was predicted to be ~4.92 GPa, which coincides with the experimentally observed second-order phase transition pressure of ~5.3 GPa from fcc to distorted fcc. Moreover, no elastic instability is found under compression. Analysis of the calculated results suggests that the TA phonon instability is the driving force for this second-order phase transition. Furthermore, the current electron-phonon coupling (EPC) calculations suggest that the experimental observation of elevated superconducting transition temperature Tc with pressure is from the increased EPC strength and the softening TA phonon.
doi_str_mv 10.1088/0953-8984/19/42/425234
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subjects Condensed matter: electronic structure, electrical, magnetic, and optical properties
Exact sciences and technology
Metals, alloys and compounds (a15, 001c15, laves phases, chevrel phases, borocarbides, etc.)
Phonons
Physics
Properties of type I and type II superconductors
Superconducting materials (excluding high-tc compounds)
Superconductivity
title Superconductivity and lattice instability in face-centered cubic lanthanum under high pressure
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