Band structure calculations on the monoclinic bulk and nano-sral2o4 crystals
文献类型：期刊论文
| 作者 | Fu, ZL; Zhou, SH; Pan, TQ; Zhang, SY |
| 刊名 | Journal of solid state chemistry
 |
| 出版日期 | 2005 |
| 卷号 | 178期号:1页码:230-233 |
| 关键词 | Electronic structure Nano-sral2o4 crystal Lattice parameters |
| ISSN号 | 0022-4596 |
| DOI | 10.1016/j.jsssc.2004.11.032 |
| 通讯作者 | Zhang, sy() |
| 英文摘要 | The electronic structure of sral2o4 is calculated by density functional method and exchange and correlation have been treated by the generalized gradient approximation within the scheme due to perdew burke-ernzerhof. the bond length and bond covalency are also calculated by chemical bond method. compared with the sral2o4 bulk crystal, the bond covalency of nanocrystal has an increasing trend; its band gap also is wider; the bond lengths of sral2o4 nanocrystal become shorter, which is responsible for the change of the covalency and band gap. (c) 2004 elsevier inc. all rights reserved. |
| WOS关键词 | QUANTUM DOTS ; NANOCRYSTALS ; COVALENCY |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Chemistry, Physical |
| 语种 | 英语 |
| WOS记录号 | WOS:000227042200035 |
| 出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2377985 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Zhang, SY |
| 作者单位 | 1.Chinese Acad Sci, Changchun Inst Appl Chem, Grad Sch, Lab Rare Earth Chem & Phys, Changchun 130022, Peoples R China 2.Sichuan Univ, Dept Chem, Chengdu 610064, Peoples R China |
| 推荐引用方式 GB/T 7714 | Fu, ZL,Zhou, SH,Pan, TQ,et al. Band structure calculations on the monoclinic bulk and nano-sral2o4 crystals[J]. Journal of solid state chemistry,2005,178(1):230-233. |
| APA | Fu, ZL,Zhou, SH,Pan, TQ,&Zhang, SY.(2005).Band structure calculations on the monoclinic bulk and nano-sral2o4 crystals.Journal of solid state chemistry,178(1),230-233. |
| MLA | Fu, ZL,et al."Band structure calculations on the monoclinic bulk and nano-sral2o4 crystals".Journal of solid state chemistry 178.1(2005):230-233. |
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来源：中国科学院大学
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