Dynamical coupling in Pb(Zr,Ti)O.sub.3./sub. solid solutions from first principles

0359004 - FZÚ 2012 RIV US eng J - Článek v odborném periodiku
Wang, D. - Weerasinghe, J. - Bellaiche, L. - Hlinka, Jiří
Dynamical coupling in Pb(Zr,Ti)O₃ solid solutions from first principles.
Physical Review. B. Roč. 83, č. 2 (2011), "020301-1"-"020301-4". ISSN 1098-0121
Grant CEP: GA MŠMT ME08109
Výzkumný záměr: CEZ:AV0Z10100520
Klíčová slova: first-principles * ferroelectric * PZT
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.691, rok: 2011
http://link.aps.org/doi/10.1103/PhysRevB.83.020301

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.
Trvalý link: http://hdl.handle.net/11104/0196886