| 標題：Electronic structures of Ba1-xCaxTiO3 studied by x-ray absorption spectroscopy and theoretical calculation |
|---|
| 學年 | 90 |
|---|
| 學期 | 1 |
|---|
| 出版（發表）日期 | 2001/12/03 |
|---|
| 作品名稱 | Electronic structures of Ba1-xCaxTiO3 studied by x-ray absorption spectroscopy and theoretical calculation |
|---|
| 作品名稱（其他語言） | |
|---|
| 著者 | Asokan, K.; Jan, J. C.; Chiou, J. W.; 彭維鋒; Pong, W. F.; Tsai, M. H.; Shih, H. L.; Chen, H.Y.; 薛宏中; Hsueh, Hung-chung; Chuang, C. C.; Chang, Y. K.; Chen, Y. Y.; 林諭男; Lin, I. N. |
|---|
| 單位 | 淡江大學物理學系 |
|---|
| 出版者 | Bristol: Institute of Physics Publishing Ltd. |
|---|
| 著錄名稱、卷期、頁數 | Journal of Physics: Condensed Matter 13(48), pp.11087-11095 |
|---|
| 摘要 | We report O and Ca K-edges x-ray absorption near edge structure (XANES) spectra of Ba1-xCaxTiO3 (x = 0.01 and 0.08), BaTiO3 and CaTiO3 and the electronic structure of Ba0.875Ca0.125TiO3 obtained by first-principles calculation. The characteristic features in the O K-edge XANES spectra of these ferroelectric perovskites are influenced by the Ca concentration. They differ substantially from those of the reference TiO2. The O K-edge spectra suggest that the combination of the alkaline-earth-metal oxides, CaO and/or BaO, with TiO2 enhance the effective charge of the O ions. Thus, a large dipole moment may result from the displacement of the Ti ion from the centre of the TiO6 octahedron leading to collective displacement of Ti ions through attractive dipole-dipole couplings and may give rise to ferroelectricity. In the Ca K-edge XANES spectra there is a pre-edge feature similar to those found in other 3d transition-metal perovskites, which may provide information about hole doping. |
|---|
| 關鍵字 | |
|---|
| 語言 | 英文 |
|---|
| ISSN | 0953-8984 |
|---|
| 期刊性質 | 國外 |
|---|
| 收錄於 | |
|---|
| 產學合作 | |
|---|
| 通訊作者 | |
|---|
| 審稿制度 | |
|---|
| 國別 | 英國 |
|---|
| 公開徵稿 | |
|---|
| 出版型式 | 紙本 |
|---|
| 相關連結 | |
|---|
|
Google+ 推薦功能，讓全世界都能看到您的推薦！
