Calculation of impurity energy levels of transition metal ions in inorganic crystals based on electronegativity
文献类型：期刊论文
| 作者 | Li KY ; Shao JJ ; Xue DF |
| 刊名 | materials research innovations
 |
| 出版日期 | 2013 |
| 卷号 | 17期号:4页码:218-223 |
| 关键词 | II-VI SEMICONDUCTORS INDUCED CHARGE-TRANSPORT BARIUM-TITANATE DOPED SRTIO3 TIO2 STATES IRON BATIO3 GAN FE |
| ISSN号 | 1432-8917 |
| 通讯作者 | xue df |
| 中文摘要 | the authors proposed a simple empirical method to quantitatively calculate the impurity energy levels of transition metal ions doped in different host inorganic crystals. linear relationships were obtained between the impurity energy level and the reciprocal of the strength of chemical bonds between the impurity cations and anions of host crystals which was defined in terms of the basic atom and bond parameters such as electronegativity, bond length and the number of valence electrons. based on these linear relationships, the authors calculated the impurity energy levels of transition metal ions in rutile tio2, iii-v and ii-vi semiconductors and some perovskite oxides, which are in good agreement with the available experimental values. the quantitative relationships established in current work can serve as an effective tool to predict the impurity energy levels, which will provide guidance in tuning the functional properties of inorganic crystal materials. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000317351600001 |
| 公开日期 | 2014-04-20 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/50471]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li KY,Shao JJ,Xue DF. Calculation of impurity energy levels of transition metal ions in inorganic crystals based on electronegativity[J]. materials research innovations,2013,17(4):218-223. |
| APA | Li KY,Shao JJ,&Xue DF.(2013).Calculation of impurity energy levels of transition metal ions in inorganic crystals based on electronegativity.materials research innovations,17(4),218-223. |
| MLA | Li KY,et al."Calculation of impurity energy levels of transition metal ions in inorganic crystals based on electronegativity".materials research innovations 17.4(2013):218-223. |
入库方式： OAI收割
来源：长春应用化学研究所
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