DFT Study on the Clamped Linear Electro-Optic Effect in KH2PO4

摘要：

The clamped linear electro-optic (E-O) effect in KH2PO4 (KDP) is studied employing the electronic density-functional theory. It is found that proton atoms in the hydrogen bonds that connect the PO4 units are much more flexible than the other atoms in KDP when an external electric field is applied. However, our results show that the main contribution to the clamped linear E-O effect in KDP crystals is from the relative displacements of the anions and cations in the phosphate group induced by a low frequency applied electric field, instead of the contribution of vibration of proton atoms. The ration △n1△/k indicating the relationship between the atoms displacement and the refractive index are found to be well consistent with experimental results.

关键词： KH2PO4 crystals refractive index electro-optic effect density-function theory

作者: Xiaohong Wen Yang Qi Xiangying Meng

作者单位: College of Sciences Northeastern University Shenyang 110819, China

会议类型: 国际会议

会议名称: 2011 International Conference on Electronics and Optoelectronics(2011电子学与光电子学国际会议 ICEOE 2011)

会议地点: 大连

会议语种:英文

页码: 969-976

在线出版日期: 2011-07-29（万方平台首次上网日期，不代表论文的发表时间）