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题名: Cation effect investigation on electronic structure, magnetic and optical properties of Li2Pb2CuB4O10
作者: Yang, ZH (Yang, Zhihua); Huang, XC (Huang, Xuchu); Liu, Q (Liu, Qiong); Hou, DW (Hou, Dianwei); Zhang, BB (Zhang, Bingbing); Huang, SS (Huang, Shengshi); Pan, SL (Pan, Shilie); Yang, Y (Yang, Yun); Zhang, M (Zhang, Min)
通讯作者: Yang, ZH
关键词: Copper-borate ; DFT plus Hubbard U ; Magnetic susceptibility ; Curie-Weiss-like behavior
刊名: CHEMICAL PHYSICS
发表日期: 2015
DOI: 10.1016/j.chemphys.2014.12.001
卷: 447, 期:2, 页:60-63
收录类别: SCI
资助者: National Natural Science Foundation of China
摘要: Effect of cations on the magnetic and optical properties of Li2Pb2CuB4O10 has been explored. It is shown that Li2Pb2CuB4O10 is a paramagnetic material due to the absence of the exchange way between magnetic active units around copper ions, although a local magnetic moment about 1.59 mu(B) exists around Cu-O. Li2Pb2CuB4O10 exhibits a UV absorption edge of 356 nm which attributes to electronic transition between Cu, B and O. It reveals that the birefringence of Li2Pb2CuB4O10 is about 0.06 at 1064 nm which is mainly due to the arrangement of quasi-plane units of CuB4O10. The roles of lithium, copper, and lead are discussed and clarified in the magnetic and optical properties.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/4204
Appears in Collections:中国科学院特殊环境功能材料与器件重点试验室_期刊论文

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作者单位: Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Enviornm, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China

Recommended Citation:
Yang, ZH ,Huang, XC ,Liu, Q ,et al. Cation effect investigation on electronic structure, magnetic and optical properties of Li2Pb2CuB4O10[J]. CHEMICAL PHYSICS,2015,447(2):60-63.
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