会议专题

Manipulation of Birefringence via Substitution of Sr2+by Pb2+Based on the Structure Model of LiSr1-xPbxBO3(0 ≤ x ≤ 0.5)

  A series of LiSr1-xPbxBO3(x = 0.138,0.285,0.320,0.379,0.417,0.5)crystals have been obtained by a high-temperature solution reaction with spontaneous nucleation technique,and the crystal structures were solved from single-crystal X-ray diffraction.Through a great deal of experiments,the maximum value of x cannot be greater than 0.5 possibly because the continuously increased Sr/Pb-O bond length and the equivalent isotropic displacement parameter of O(3)atoms with the increased ratio of Pb2+cations.It is found that when the Sr atoms partially substituted by Pb atoms with optical anisotropies,the birefringence improved from 0.0494@1064nm in LiSrBO3 to 0.0721@1064nm in LiSr0.5Pb0.5BO3.Basing on the first-principles and real-space atom-cutting method,the origin of birefringence was attributed to the Pb2+cations and(BO3)3-groups in LiSr0.5Pb0.5BO3.The infrared spectrum properties and thermal behavior were also reported.

Miriding Mutailipu Dianwei Hou Min Zhang Zhihua Yang Shilie Pan

Key Laboratory of Functional Materials and Devices for Special Environments,Xinjiang Technical Insti Key Laboratory of Functional Materials and Devices for Special Environments,Xinjiang Technical Insti

国内会议

第八届国际分子模拟与信息技术应用学术会议

大连

英文

903-912

2016-09-24(万方平台首次上网日期,不代表论文的发表时间)