中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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
DOI10.1016/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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