Finite-Temper at ure Investigation of Ferroelectric Solid Solutions from First-Principles: Application to the Structural Properties ofPb(Zr0.5Ti0.5)O3

L. Bellaiche, Alberto Garcia, David Vanderbilt

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Scopus citations

Abstract

The first-principles-derived approach proposed in Ref. [1] is used to study structural properties of Ph(Zr0.5Ti0.5)O3 alloys at finite-temperature. Predictions are in excellent agreement with experimental data and direct first-principles results. Other possibilities offered by this approach are also discussed.

Original languageEnglish (US)
Title of host publicationFundamental Physics of Ferroelectrics 2000
Subtitle of host publicationAspen Center for Physics Winter Workshop
EditorsRonald E. Cohen, Richard A. Mewaldt
PublisherAmerican Institute of Physics Inc.
Pages79-87
Number of pages9
ISBN (Electronic)1563969599
DOIs
StatePublished - Sep 12 2000
EventAspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 - Aspen, United States
Duration: Feb 13 2000Feb 20 2000

Publication series

NameAIP Conference Proceedings
Volume535
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

ConferenceAspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000
CountryUnited States
CityAspen
Period2/13/002/20/00

    Fingerprint

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Bellaiche, L., Garcia, A., & Vanderbilt, D. (2000). Finite-Temper at ure Investigation of Ferroelectric Solid Solutions from First-Principles: Application to the Structural Properties ofPb(Zr0.5Ti0.5)O3. In R. E. Cohen, & R. A. Mewaldt (Eds.), Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop (pp. 79-87). (AIP Conference Proceedings; Vol. 535). American Institute of Physics Inc.. https://doi.org/10.1063/1.1324442