Nonlinear optical(NLO)switchable materials have attracted intense attention because of their promising applications in optoelectronic devices.However,previous studies are mainly limited to molecular-based compounds th...Nonlinear optical(NLO)switchable materials have attracted intense attention because of their promising applications in optoelectronic devices.However,previous studies are mainly limited to molecular-based compounds that usually exhibit narrow bandgaps.Here,we report all-inorganic Li_(9)Na_(3)Rb_(2)(SO_(4))_(7) as an ultrawide-bandgap NLO switchable material.展开更多
Ultrawide bandgap semiconductor,e.g.,diamond,is considered as the next generation of semiconductor.Here,a new orthorhombic carbon allotrope(P2_(1)2_(1)2_(1)-C16)with ultrawide bandgap and ultra-large hardness is ident...Ultrawide bandgap semiconductor,e.g.,diamond,is considered as the next generation of semiconductor.Here,a new orthorhombic carbon allotrope(P2_(1)2_(1)2_(1)-C16)with ultrawide bandgap and ultra-large hardness is identified.The stability of the newly designed carbon is confirmed by the energy,phonon spectrum,ab-initio molecular dynamics and elastic constants.The hardness ranges from 88 GPa to 93 GPa according to different models,which is comparable to diamond.The indirect bandgap reaches 6.23 eV,which is obviously larger than that of diamond,and makes it a promising ultra-wide bandgap semiconductor.Importantly,the experimental possibility is confirmed by comparing the simulated X-ray diffraction with experimental results,and two hypothetical transformation paths to synthesize it from graphite are proposed.展开更多
基金supported by the National Nature Science Foundation of China(21833010,61975207,21622101,21921001,21525104,and 51662013)the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB20000000 and XDB20010200)+5 种基金the Natural Science Foundation of Fujian Province(2018H0047)the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(ZDBS-LY-SLH024)the Natural Science Foundation of Guangxi Province(2018GXNSFDA281015)the National Key Research and Development Program of China(2019YFA0210400)Key Laboratory of Functional Crystals and Laser Technology,TIPC,CAS(FCLT 202003)Key Laboratory of New Processing Technology for Nonferrous Metal&Materials,Ministry of Education/Guangxi Key Laboratory of Optical and Electronic Materials and Devices(20KF-11).
文摘Nonlinear optical(NLO)switchable materials have attracted intense attention because of their promising applications in optoelectronic devices.However,previous studies are mainly limited to molecular-based compounds that usually exhibit narrow bandgaps.Here,we report all-inorganic Li_(9)Na_(3)Rb_(2)(SO_(4))_(7) as an ultrawide-bandgap NLO switchable material.
基金supported by the National Natural Science Foundation of China(No.51875269)the Startup Foundation of Jiangsu University of Science and Technology(No.202100000135).
文摘Ultrawide bandgap semiconductor,e.g.,diamond,is considered as the next generation of semiconductor.Here,a new orthorhombic carbon allotrope(P2_(1)2_(1)2_(1)-C16)with ultrawide bandgap and ultra-large hardness is identified.The stability of the newly designed carbon is confirmed by the energy,phonon spectrum,ab-initio molecular dynamics and elastic constants.The hardness ranges from 88 GPa to 93 GPa according to different models,which is comparable to diamond.The indirect bandgap reaches 6.23 eV,which is obviously larger than that of diamond,and makes it a promising ultra-wide bandgap semiconductor.Importantly,the experimental possibility is confirmed by comparing the simulated X-ray diffraction with experimental results,and two hypothetical transformation paths to synthesize it from graphite are proposed.
