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First-principles soft-mode lattice dynamics of PbZr 0.5 Ti 0.5 O 3 and shortcomings of the virtual crystal approximation (2019)

First Author: Baker J

Attributed to: Linear scaling DFT modelling of ferroelectrics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1103/physrevb.100.224305

Publication URI: http://dx.doi.org/10.1103/physrevb.100.224305

Type: Journal Article/Review

Parent Publication: Physical Review B

Issue: 22