Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Lead Phosphate Crystal LiPbPO4
Phosphates with noncentrosymmetric(NCS)structures usually display short ultraviolet(UV)cut-off edges,but often exhibit weak powder second harmonic generation(SHG)intensities.Here we synthesized a NCSphosphate,LiPbPO4,that achieves a desired balance between UV transparency,cut-off edge of about 232 nm,and large SHG activity(about 3 × KDP).The three dimensional(3D)framework of LiPbPO4 consists of PO4 and LiO4 tetrahedra that are corner-shared,forming wide channels where the lead cations reside.The local dipole moments for the PO4 and LiO4 tetrahedra as well as lead polyhedra in a unit cell were calculated.First-principles calculations have been performed for better understanding the structure-properties relationships in LiPbPO4.In addition,to further explore spatial distribution of the electronic states dominating the NLO activity,the SHG density method was employed.
Guopeng Han Qiong Liu Ying Wang Xin Su Zhihua Yang Shilie Pan
Key Laboratory of Functional Materials and Devices for Special Environments of CAS,Xinjiang Key Labo Key Laboratory of Functional Materials and Devices for Special Environments of CAS,Xinjiang Key Labo
国内会议
大连
英文
792-799
2016-09-24（万方平台首次上网日期，不代表论文的发表时间）