【摘 要】
：
The Pb(Ⅱ)cations have long been associated with lone-pairs which can help to enhance the optical anisotropic birefringence.In this paper,the contribution of lead cations to birefringence has been inve
【机 构】
：
Key Laboratory of Functional Materials and Devices for Special Environments,Xinjiang Technical Insti
【出 处】
：
第八届国际分子模拟与信息技术应用学术会议
论文部分内容阅读
The Pb(Ⅱ)cations have long been associated with lone-pairs which can help to enhance the optical anisotropic birefringence.In this paper,the contribution of lead cations to birefringence has been investigated using first-principles and real-space atom-cutting method.The results show that the contribution of lead cations to birefringence is determined by the degree of stereochemical activity which is affected by the coordination environment of lead cations.
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