Electronic structure of microporous titanosilicate ETS-10
文献类型：期刊论文
| 作者 | Xu YN ; Ching WY ; Gu ZQ |
| 刊名 | ferroelectrics
 |
| 出版日期 | 1997 |
| 卷号 | 194期号:0页码:219-226 |
| 关键词 | electronic structure titanosilicates |
| ISSN号 | 0015-0193 |
| 中文摘要 | the electronic structure of a microporous titanosilicate framework, ets-10 is calculated by means of a first-principles self-consistent method. it is shown that without the inclusion of the alkali atoms whose positions in the framework are unknown, ets-10 is an electron deficient system with 32 electrons per unit cell missing at the top of an otherwise semiconductor-like band structure. the calculated density of slates are resolved into partial components. it is shown that the states of the missing electrons primarily originate from the ti-o bond. the local density of states of the ti-3d orbitals in the ets-10 framework is quite different from the perovskite batio3. the possibilities of ets-10 crystal being ferroelectric or having other interesting properties are discussed. |
| 学科主题 | 半导体材料 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2010-11-17 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/15145]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Xu YN,Ching WY,Gu ZQ. Electronic structure of microporous titanosilicate ETS-10[J]. ferroelectrics,1997,194(0):219-226. |
| APA | Xu YN,Ching WY,&Gu ZQ.(1997).Electronic structure of microporous titanosilicate ETS-10.ferroelectrics,194(0),219-226. |
| MLA | Xu YN,et al."Electronic structure of microporous titanosilicate ETS-10".ferroelectrics 194.0(1997):219-226. |
入库方式： OAI收割
来源：半导体研究所
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