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Dynamical coupling in Pb(Zr,Ti)O.sub.3./sub. solid solutions from first principles
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SYSNO ASEP 0359004 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Dynamical coupling in Pb(Zr,Ti)O3 solid solutions from first principles Author(s) Wang, D. (US)
Weerasinghe, J. (US)
Bellaiche, L. (US)
Hlinka, Jiří (FZU-D) RID, ORCIDSource Title Physical Review. B - ISSN 1098-0121
Roč. 83, č. 2 (2011), "020301-1"-"020301-4"Number of pages 4 s. Language eng - English Country US - United States Keywords first-principles ; ferroelectric ; PZT Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects ME08109 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z10100520 - FZU-D (2005-2011) UT WOS 000286747000001 DOI 10.1103/PhysRevB.83.020301 Annotation A first-principles-based approach is developed to model dynamical coupling between different degrees of freedom in the terahertz frequency range at any temperature. Such an approach is applied to Pb(Zr,Ti)O3 alloys, which exhibit both ferroelectric (FE) and antiferrodistortive (AFD) motions. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2012
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