Simulation and Design of Infrared Second-Order Nonlinear Optical Materials in Metal Cluster Compounds

被引：1
作者：
Wu, Kechen [1 ]
机构：
[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China
来源：
STRUCTURE-PROPERTY RELATIONSHIPS IN NON-LINEAR OPTICAL CRYSTALS II: THE IR REGION | 2012年 / 145卷
基金：
中国国家自然科学基金;
关键词：
Charge transfers; Density functional calculations; IR absorption; Nonlinear optics; Transition-metal compounds; DENSITY-FUNCTIONAL THEORY; HETERONUCLEAR BIMETALLIC COMPLEXES; ORDER REGULAR APPROXIMATION; HYPER-RAYLEIGH SCATTERING; TRANSITION-METAL; QUADRATIC HYPERPOLARIZABILITY; CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE; CORRELATION ENERGIES; SCREENING MODEL;
D O I：
10.1007/430_2011_73
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
In this minireview, we overview the recent advances and perspectives in the developments of the infrared second-order nonlinear optical materials. The traditional semiconductors are discussed first including the problems encountered such as the facility of large second-order nonlinearity but difficulty in practical materials for laser applications. We then focus our special interest on the area of the transition-metal polynuclear cluster compounds which is a great promising area for developing new-generation infrared second-order nonlinear optical materials and molecule-scaled photoelectronic devices. We present in detail the computational studies on the microscopic mechanism of second-order nonlinear optical response and the structure-property relationship insight of these metal cluster compounds.
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页码：45 / 80
页数：36
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