A new deep-ultraviolet nonlinear optical crystal,Cs_(12)Zn_(4)(B_(5)O_(10))_(4),was synthesized via a high temperature solution method.The crystal structure was solved in the noncentrosymmetric space group(Cc,no.9).Ow...A new deep-ultraviolet nonlinear optical crystal,Cs_(12)Zn_(4)(B_(5)O_(10))_(4),was synthesized via a high temperature solution method.The crystal structure was solved in the noncentrosymmetric space group(Cc,no.9).Owing to the cation size effect,from X_(3)ZnB_(5)O_(10)(X=Na,K,and Rb)to Cs_(12)Zn_(4)(B_(5)O_(10))_(4),the structure changes from centrosymmetric to noncentrosymmetric.Cs_(12)Zn_(4)(B_(5)O_(10))_(4) exhibits a 3D[ZnB_(5)O_(10)]_(∞) network,however,X_(3)ZnB_(5)O_(10)(X=Na,K,and Rb)exhibits a 2D[ZnB_(5)O_(10)]_(∞)layer.It is worth mentioning that Cs_(12)Zn_(4)(B_(5)O_(10))_(4) displays a short cutoff edge(below 185 nm),which is remarkable among the reported Zn-containing NLO crystals.Meanwhile,the compound exhibits a moderate SHG response and melts congruently.In addition,the relationship between its structure and NLO properties was also discussed in detail using the density functional theory(DFT)method.展开更多
基金completed with the help of the West Light Foundation of the CAS(Grant No.2016-YJRC-2)the National Natural Science Foundation of China(Grant No.U1703127,61835014,and 51425206)+2 种基金the High-level Professional and Technical Personnel of Autonomous region,the Science and Technology Project of Urumqi(Grant No.G161020001)the Xinjiang Key Research and Development Program(Grant No.2016B02021)The authors also express their thanks to the“Fujian Institute of Innovation,CAS”for the support.
文摘A new deep-ultraviolet nonlinear optical crystal,Cs_(12)Zn_(4)(B_(5)O_(10))_(4),was synthesized via a high temperature solution method.The crystal structure was solved in the noncentrosymmetric space group(Cc,no.9).Owing to the cation size effect,from X_(3)ZnB_(5)O_(10)(X=Na,K,and Rb)to Cs_(12)Zn_(4)(B_(5)O_(10))_(4),the structure changes from centrosymmetric to noncentrosymmetric.Cs_(12)Zn_(4)(B_(5)O_(10))_(4) exhibits a 3D[ZnB_(5)O_(10)]_(∞) network,however,X_(3)ZnB_(5)O_(10)(X=Na,K,and Rb)exhibits a 2D[ZnB_(5)O_(10)]_(∞)layer.It is worth mentioning that Cs_(12)Zn_(4)(B_(5)O_(10))_(4) displays a short cutoff edge(below 185 nm),which is remarkable among the reported Zn-containing NLO crystals.Meanwhile,the compound exhibits a moderate SHG response and melts congruently.In addition,the relationship between its structure and NLO properties was also discussed in detail using the density functional theory(DFT)method.
