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: | 20-十月-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 |
顯示於類別: | 期刊論文 |