Structure determination and compositional modification of body-centered tetragonal PX-phase lead titanate

0365288 - FZÚ 2012 RIV US eng J - Článek v odborném periodiku
Wang, J. - Schenk, K. - Carvalho, A. - Wylie-van Eerd, B. - Trodahl, J. - Sandu, C.S. - Bonin, M. - Gregora, Ivan - He, Z. - Yamada, T. - Funakubo, H. - Briddon, P.R. - Setter, N.
Structure determination and compositional modification of body-centered tetragonal PX-phase lead titanate.
Chemistry of Materials. Roč. 23, č. 10 (2011), s. 2529-2535. ISSN 0897-4756. E-ISSN 1520-5002
Grant CEP: GA AV ČR KAN301370701
Výzkumný záměr: CEZ:AV0Z10100520
Klíčová slova: lead titanate * fibrous PX phase * structure determination * open channels * Raman scattering
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 7.286, rok: 2011

Fibrous PX-phase of lead titanate was studied to clarify its structural aspects. Combining X-ray diffraction and electron microscope analysis with a first-principles calculation, a unique open channel wire-like structure with a 5.53 A is determined. PX-phase structture was shown to have a wide indirect gap. Frequency and symmetry of Raman-active lattice vibration modes have been identified in polarized Raman spectra and a good match with calculations was found. Doping with Zr of the PX-phase PT was also investigated, showing a limit of 17% incorporation.
Trvalý link: http://hdl.handle.net/11104/0200566