标题：Growth, Crystal Structure, Theoretical Analysis and Properties of Te4+-Doped KTiOPO4
作者：Liu, Lintao; Yao, Qian; Zhang, Junying; Dong, Weimin; Li, Jing; Wang, Jiyang; Boughton, Robert I.
作者机构：[Liu, Lintao; Yao, Qian; Zhang, Junying; Dong, Weimin; Li, Jing; Wang, Jiyang] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peopl 更多
通讯作者地址：[Li, J]Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China.
来源：JOURNAL OF ELECTRONIC MATERIALS
关键词：Optical material; crystal growth; electronic band structure; thermal; conductivity; thermal expansion
摘要：A single crystal of Te4+-doped KTiOPO4(Te:KTP) has been grown by the flux method. The electronic structure and density of states of KTiOPO4 (KTP) and Te:KTP were calculated from first principles. As the results reveal, there is no change in the space group or lattice structure of Te:KTP, but that some increase in lattice parameters occurred. The chemical composition of Te:KTP was analyzed using x-ray photoelectron spectroscopy (XPS). The possible existence of Ti3+ has been evaluated by measuring the electron paramagnetic resonance spectrum, and the results reveal that the ion is absent from this crystal. It was observed that Te4+ doping reduces the conductivity of the crystal from measurements of its conductivity at different temperatures and frequencies, indicating that Te:KTP has excellent electro-optical properties. The effect of Te4+ doping on the second harmonic generation in KTP was also studied. The thermal expansion, thermal diffusivity, thermal conductivity and specific heat capacity of KTP and Te:KTP were determined.