摘要
The design of new materials with special performances is still a great challenge,especially for the deep-ultraviolet nonlinear optical materials in which it is difficult to balance large bandgaps and strong second harmonic generation responses due to their inverse relationship.Cation variation not only influences the whole structure frameworks but also directly participates in the formation of electronic structures,both of which could lead to the uncontrollability of the properties of the designed materials.Here,a novel approach,aiming at purposeful and foreseeable material designs,is proposed to characterize the role of cations.By the verification of several series of borates,the influences of cation variation on property changes are explored systematically.Accordingly,a feasible strategy of designing deep-ultraviolet nonlinear optical materials by substituting barium for lead has been concluded,which could obviously blue-shift the ultraviolet cutoff edge and maintain the relatively strong second harmonic generation response(more than 2 times of KH2PO4),achieving the property optimization,and especially works efficiently in fluorooxoborates.The property optimization design strategy and the cation characterization method are not only helpful in exploring nonlinear optical materials but also enlightening in material design and selection.
出处
《Research》
SCIE
EI
CSCD
2023年第3期781-791,共11页
研究(英文)
基金
Key Research Program of Frontier Sciences,CAS(ZDBS-LY-SLH035)
the National Natural Science Foundation of China(22193044)
National Key R&D Program of China(2021YFB3601502)
Natural Science Foundation of Xinjiang(2021D01E05)
Xinjiang Major Science and Technology Project(2021A01001)
the International Partnership Program of CAS(1A1365KYSB20200008)
CAS Project for Young Scientists in Basic Research(YSBR-024)。