標題: Effect of the Ca content on the electronic structure of Pb1-xCaxTiO3 perovskites
作者: Jan, JC
Kumar, KPK
Chiou, JW
Tsai, HM
Shih, HL
Hsueh, HC
Ray, SC
Asokan, K
Pong, WF
Tsai, MH
Kuo, SY
Hsieh, WF
光電工程學系
Department of Photonics
公開日期: 20-Oct-2003
摘要: This study performs O K- and Ti L-3,L-2-edge x-ray absorption near-edge structure (XANES) measurements and first-principles pseudopotential calculations for the electronic structures of ABO(3)-type Pb1-xCaxTiO3 (x=0-1) perovskites. The features in the O K-edge XANES spectra are found to be contributed primarily by hybridization between O 2p and Ti 3d, Pb 6p, and Ca 3d orbitals. The O K-edge XANES spectra reveal that partial substitution of A cations, Pb, by Ca not only decreases O 2p-Pb 6p but also O 2p-Ti 3d hybridization. The Ti L-3,L-2-edge measurements find that the off-center displacement of Ti, and hence, ferroelectricity persist up to a Ca concentration between 0.3 and 0.4. (C) 2003 American Institute of Physics.
URI: http://dx.doi.org/10.1063/1.1618375
http://hdl.handle.net/11536/27455
ISSN: 0003-6951
DOI: 10.1063/1.1618375
期刊: APPLIED PHYSICS LETTERS
Volume: 83
Issue: 16
起始頁: 3311
結束頁: 3313
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