Large sliding regulation in van der waals layered nonlinear optical ternary chalcogenides
作者机构：Functional Crystals LabKey Laboratory of Functional Crystals and Laser TechnologyTechnical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190People’s Republic of China Center of Materials Science and Optoelectronics EngineeringUniversity of Chinese Academy of SciencesBeijing 100049People’s Republic of China State Key Laboratory of Low-Dimensional Quantum PhysicsDepartment of PhysicsTsinghua UniversityBeijing 100084People’s Republic of China
出 版 物：《npj Computational Materials》 (计算材料学（英文）)
年 卷 期：2023年第9卷第1期
页 面：574-583页
核心收录：
学科分类：08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）]
基 金：This work is supported by the National Natural Science Foundation of China(Grant No.12174404 and 22133004) the Open Research Fund Program of the State Key Laboratory of Low-Dimensional Quantum Physics.The authors thank Dr.Bonan Zhu and Xuanlin Pan for helpful discussion
主 题：materials mechanism layered
摘 要：Interlayer sliding modulation in van der Waals(vdW)layered materials opens opportunities to seek tunable applications for photonics and optoelectronics at the *** this work,focusing on ternary chalcogenides,dozens of typical vdW layered materials with the formula of A_(2)MZ_(4)(A,M=metal cation;Z=S/Se)were systematically classified and studied to illustrate the interlayer sliding modulation performance on nonlinear optical(NLO)effect and underlying *** on first-principles analysis,the screened Cd_(2)GeSe_(4) exhibits large second harmonic generation(SHG)deviation(36 times between high-and low-SHG states)under sliding among all studied *** phenomenon arises from the polarization modulation induced by the vdW interlayer charge redistribution of two tetrahedral primitives in the ternary edge-sharing tetrahedral *** findings present a strategy to substantially modulate NLO properties by altering the interlayer charge coupling which is commonly thought to be very weak in vdW layered materials.
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