强激光与粒子束2011，Vol.23Issue(5)：1370-1372,3.DOI:10.3788/HPLPB20112305.1370
第一性原理研究KDP晶体中Ba取代K点缺陷
First principles study on point defect of Ba substituting for K in KDP crystals
摘要
Abstract
The electronic structure and energy state density of Ba substituting for K in KDP crystals was studied by first principles calculations.The point defect narrows down the energy gap to about 6.3 eV, which corresponds to a two-photon absorption of 390 nm.This can explain the absorption of Ba-doped KDP crystals in ultraviolet(UV) region.Moreover, the defect only makes the surrounding crystal lattice and clectronic structure slightly distorted, and thus little impact is placed on the overall structure of the crystal.关键词
磷酸二氢钾晶体/Ba/点缺陷/紫外光吸收/光损伤Key words
KDP crystal/ Ba/ point defect/ absorption in ultraviolet region/ laser induced damage分类
数理科学引用本文复制引用
高慧,孙洵,刘宝安,纪少华,徐明霞,许心光,赵显..第一性原理研究KDP晶体中Ba取代K点缺陷[J].强激光与粒子束,2011,23(5):1370-1372,3.基金项目
国家自然科学基金项目(10676019,50721002) （10676019,50721002）
新世纪优秀人才支持计划项目(NCET-10-0526) （NCET-10-0526）
