Phosphite materials have aroused wide attention due to their diverse open frameworks and promising magnetic and optical performances.Here,the first barium scandium phosphite,BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2),was obtai...Phosphite materials have aroused wide attention due to their diverse open frameworks and promising magnetic and optical performances.Here,the first barium scandium phosphite,BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2),was obtained via a facile hydrothermal route.BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2) crystallizes in the polar space group Pn and exhibits a 3D{[Sc_(2)(HPO_(3))_(4)]^(2−)}_(∞)anion framework constructed by distorted ScO6 octahedra and HPO_(3)^(2−)anion groups.BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2) can exhibit a phase-matchable SHG response of about 0.94×KH_(2)PO_(4) at 1064 nm,and a moderate birefringence(0.036@1064 nm)to satisfy the phase-matchable behavior requirement.Deep investigation of its structure–property relationship based on theoretical calculations has also been presented in this work.展开更多
基金support by the National natural science foundation of China(21771159,22071212,22101248)the Priority Academic Program Development of Jiangsu Higher Education Institutions,Lvyangjinfeng Talent Program of Yangzhou(YZLYJFJH2021YXBS083)Qinglan Project of Jiangsu Province of China.
文摘Phosphite materials have aroused wide attention due to their diverse open frameworks and promising magnetic and optical performances.Here,the first barium scandium phosphite,BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2),was obtained via a facile hydrothermal route.BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2) crystallizes in the polar space group Pn and exhibits a 3D{[Sc_(2)(HPO_(3))_(4)]^(2−)}_(∞)anion framework constructed by distorted ScO6 octahedra and HPO_(3)^(2−)anion groups.BaSc_(2)(HPO_(3))_(4)(H_(2)O)_(2) can exhibit a phase-matchable SHG response of about 0.94×KH_(2)PO_(4) at 1064 nm,and a moderate birefringence(0.036@1064 nm)to satisfy the phase-matchable behavior requirement.Deep investigation of its structure–property relationship based on theoretical calculations has also been presented in this work.
