The study of infrared nonlinear optical(NLO)materials with wide band gaps and high laser induced damage thresholds(LIDTs)is an urgent and challenging topic.Here,we report the NLO properties of CsRESiS_(4)(RE=Sm,Gd–Ho...The study of infrared nonlinear optical(NLO)materials with wide band gaps and high laser induced damage thresholds(LIDTs)is an urgent and challenging topic.Here,we report the NLO properties of CsRESiS_(4)(RE=Sm,Gd–Ho),which were synthesized by the reactive flux CsCl assisted RExOy–B–S routine.The structure of CsRESiS_(4),[CsS_(7)]pentagonal bipyramids are orderly arranged to populate the interlayer space created by[RES_(7)]monocapped triangular prisms consolidated[SiS_(4)]tetrahedra.They all exhibit wide band gaps of 3.51–3.95 eV,high LIDTs of 3.6–5.5×AGS,and NLO activity,with CsHoSiS_(4)possessing the largest band gap among rare-earth chalcogenides.The theoretical calculation results indicate that[RES_(7)]monocapped triangular prisms are the main source of NLO activity and have a wide band gap.This work provides an effective case for exploring wide band gap infrared NLO materials.展开更多
基金support by the National Natural Science Foundation of China(22265014,22371246)the Yunnan Fundamental Research Projects(202401AS070120)+2 种基金the Natural Science of Foundation of Jiangxi Province(20242BAB26034)the Key Laboratory of Jiangxi Province for Special Optoelectronic Artificial Crystal Materials(20242BCC32037)the Science and Technology Project of Jiangxi Provincial Department of Education(GJJ2201602).
文摘The study of infrared nonlinear optical(NLO)materials with wide band gaps and high laser induced damage thresholds(LIDTs)is an urgent and challenging topic.Here,we report the NLO properties of CsRESiS_(4)(RE=Sm,Gd–Ho),which were synthesized by the reactive flux CsCl assisted RExOy–B–S routine.The structure of CsRESiS_(4),[CsS_(7)]pentagonal bipyramids are orderly arranged to populate the interlayer space created by[RES_(7)]monocapped triangular prisms consolidated[SiS_(4)]tetrahedra.They all exhibit wide band gaps of 3.51–3.95 eV,high LIDTs of 3.6–5.5×AGS,and NLO activity,with CsHoSiS_(4)possessing the largest band gap among rare-earth chalcogenides.The theoretical calculation results indicate that[RES_(7)]monocapped triangular prisms are the main source of NLO activity and have a wide band gap.This work provides an effective case for exploring wide band gap infrared NLO materials.
