First-principles lattice dynamics and thermodynamic properties of pre-perovskite PbTiO3

Published 2019 View Full Article

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Title
First-principles lattice dynamics and thermodynamic properties of pre-perovskite PbTiO3
Authors
Keywords
Pre-perovskite PbTiO, 3, (PP-PTO), First-principles calculations, Lattice dynamics, Phase diagram
Journal
ACTA MATERIALIA
Volume 171, Issue -, Pages 146-153
Publisher
Elsevier BV
Online
2019-04-10
DOI
10.1016/j.actamat.2019.04.008

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