Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090, Russia.
J Phys Condens Matter. 2012 Oct 10;24(40):405503. doi: 10.1088/0953-8984/24/40/405503. Epub 2012 Sep 13.
The electronic structure of RbTiOPO(4) has been investigated with x-ray photoemission spectroscopy. Detailed photoemission spectra of the element core levels have been recorded under excitation by nonmonochromatic Al Kα radiation (1486.6 eV). The chemical bonding parameters are compared to those reported for complex titanates and phosphates. The band structures of KTiOPO(4), RbTiOPO(4), K(0.535)R(0.465)TiOPO(4) and TlTiOPO(4) have been calculated by ab initio methods and compared to available experimental results. It is found that the band structure of KTP-type phosphate crystals is weakly dependent on the nature of the A-site (A=K, Rb, Tl) element.
采用 X 射线光电子能谱法研究了 RbTiOPO(4) 的电子结构。用非单色 Al Kα 辐射（1486.6 eV）激发，记录了元素芯能级的详细光电子能谱。将化学结合参数与复杂钛酸盐和磷酸盐的报道值进行了比较。采用从头计算方法计算了 KTiOPO(4)、RbTiOPO(4)、K(0.535)R(0.465)TiOPO(4)和 TlTiOPO(4)的能带结构，并与现有的实验结果进行了比较。结果表明，KTP 型磷酸盐晶体的能带结构与 A 位（A=K、Rb、Tl）元素的性质关系不大。
