Temperature dependence of nonlinear optical properties in Li doped nano-carbon bowl material

被引:14
作者
Li, Wei-qi [1 ]
Zhou, Xin [2 ]
Chang, Ying [1 ]
Tian, Wei Quan [2 ]
Sun, Xiu-Dong [1 ]
机构
[1] Harbin Inst Technol, Dept Phys, Harbin 150001, Peoples R China
[2] Harbin Inst Technol, Acad Fundamental & Interdisciplinary Sci, Inst Theoret & Simulat Chem, State Key Lab Urban Water Resource & Environm, Harbin 150001, Peoples R China
关键词
HYPERPOLARIZABILITIES;
D O I
10.1063/1.4802481
中图分类号
O59 [应用物理学];
学科分类号
摘要
The mechanism for change of nonlinear optical (NLO) properties with temperature is proposed for a nonlinear optical material, Li doped curved nano-carbon bowl. Four stable conformations of Li doped corannulene were located and their electronic properties were investigated in detail. The NLO response of those Li doped conformations varies with relative position of doping agent on the curved carbon surface of corannulene. Conversion among those Li doped conformations, which could be controlled by temperature, changes the NLO response of bulk material. Thus, conformation change of alkali metal doped carbon nano-material with temperature rationalizes the variation of NLO properties of those materials. (C) 2013 AIP Publishing LLC [http://dx.doi.org/10.1063/1.4802481]
引用
收藏
页数:3
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