新疆大学化工学院石油天然气精细化工教育部和新疆维吾尔自治区重点实验室
纸质出版:2022
移动端阅览
[1]赵欢欢,吕佳荣,吴磊,等.深紫外非线性光学晶体Ba_2P_2O_7的合成、表征与性能研究[J].新疆大学学报(自然科学版)(中英文),2022,39(05):584-591.
[1]赵欢欢,吕佳荣,吴磊,等.深紫外非线性光学晶体Ba_2P_2O_7的合成、表征与性能研究[J].新疆大学学报(自然科学版)(中英文),2022,39(05):584-591. DOI: 10.13568/j.cnki.651094.651316.2021.09.29.0001.
DOI:10.13568/j.cnki.651094.651316.2021.09.29.0001.
将碱土金属钡引入焦磷酸盐,通过高温固相法合成了一种新的非线性光学材料Ba_2P_2O7,该化合物结晶于■m(No.189)非中心空间群,其三维网状结构中,P_2O7基团按照ABAB方式形成不同朝向的P_2O7二聚体簇;钡原子与氧原子配位形成Ba O10和Ba O11多面体.研究结果表明:该晶体具有短的紫外截止边(195 nm)及良好的热稳定性,同时讨论了二阶倍频效应与阴离子基团排布之间的关系.第一性原理计算证明了该化合物的光学性能主要决定于P-O基团.
In this study
the alkaline earth metal Ba was introduced into pyrophosphates and a new nonlinear optical material Ba_2P_2O7 was synthesized by high temperature solid-state method.The compound crystallized in ■m(No.189) noncentrosymmetric space group.In its three-dimensional framework
the P_2O7 groups form clusters with diferent orientations with ABAB mode.Ba atoms coordinate with oxygen atoms to form Ba O10 and BaO11 polyhedra.The experimental results exhibited that the material has a short ultraviolet cutof edge(195 nm)and good thermal stability
and the relationship between the second harmonic generation and the arrangement of anionic groups is discussed emphatically.First-principles calculations elucidated that the optical properties of the compound are mainly derived from the P-O groups.
CHEN J D,CHEN H X,XU F,et al.Mg2In3Si2P7:a quaternary diamond-like phosphide infrared nonlinear optical material derived from Zn Ge P2[J].Journal of the American Chemical Society,2021,143(27):10309-10316.
CHEN Y G,XING M L,LIU P F,et al.Two phosphates:noncentrosymmetric Cs6Mg6(PO3)18 and centrosymmetric Cs2Mg Zn2(P2O7)2[J].Inorganic Chemisrty,2017,56(2):845-851.
ZHAO S,GONG P,LUO S,et al.Deep-ultraviolet transparent phosphates Rb Ba2(PO3)5 and Rb2Ba3(P2O7)2 show nonlinear optical activity from condensation of[PO4]3-units[J].Journal of the American Chemical Society,2014,136(24):8560-8563.
KANG L,LIANG F,JIANG X,et al.First-principles design and simulations promote the development of nonlinear optical crystals[J].Accounts of Chemical Research,2020,53(1):209-217.
YANG Z H,LEI B H,ZHANG W Y,et al.Module-analysis-assisted design of deep ultraviolet fluorooxoborates with extremely large gap and high structural stability[J].Chemistry of Materials,2019,31(8):2807-2813.
ZHANG B B,SHI G Q,YANG Z H,et al.Fluorooxoborates:beryllium-free deep-ultraviolet nonlinear optical materials without layered growth[J].Angewandte Chemie International Ed in English,2017,56(14):3916-3919.
HAN S J,MUTAILIPU M,ABUDUKADI T,et al.Pb B5O7F3:a high-performing short-wavelength nonlinear optical material[J].Chemistry of Materials,2020,32(5):2172-2179.
CHEN C T.A localized quantal theoretical treatment,based on an anionic coordination polyhedron model,for the EO and SHGeffects in crystals of the mixed-oxide types[J].Science in China,1979,22(7):756-776.
CHEN C T,WU Y C,LI R K.The anionic group theory of the non-linear optical effect and its applications in the development of new high-quality NLO crystals in the borate series[J].International Reviews in Physical Chemistry,2008,8(1):65-91.
CHEN C T,BOCHARD W,JIANG A D.A new-type ultraviolet SHG crystalβ-Ba B2O4[J].Science in China Series B-Chemistry,1985,2(3):235-243.
CHEN C T,WU Y C,JIANG A D,et al.New nonlinear-optical crystal:Li B3O5[J].Journal of the Optical Society of America B:Optical Physics,1989,6(4):616-621.
CHEN C T,XU Z Y,DENG D Q,et al.The vacuum ultraviolet phase-matching characteristics of nonlinear optical KBe2BO3F2crystal[J].Applied Physics Letters,1996,68(21):2930-2932.
CHEN C T.Recent advances in deep and vacuum-UV harmonic generation with KBBF crystal[J].Optical Materials,2004,26(4):425-429.
YU P,WU L M,ZHOU L J,et al.Deep-ultraviolet nonlinear optical crystals:Ba3P3O10X(X=Cl,Br)[J].Journal of the American Chemical Society,2014,136(1):480-487.
FENG J H,HU C L,LIN Y,et al.Ba PO3Cl:a metal phosphate chloride with infinite[PO3]infinity chains[J].Inorganic Chemisrty,2019,58(1):73-76.
CAI D F,YANG Z T.Investigation on some properties of KTi OPO4 crystals[J].Journal of Crystal Growth,1986,79(1/2/3):974-977.
DANG J H,MEI D J,WU Y D,et al.A comprehensive survey on nonlinear optical phosphates:role of multicoordinate groups[J].Coordination Chemistry Reviews,2021,431:213692-213704.
CHEN Z H,FANG Y,ZHANG W Y.ALi Zn P2O7(A=Rb,Cs):two mixed alkali zinc pyrophosphates featuring a[Li2Zn2P4O20]14-anionic skeleton[J].Inorganic Chemistry,2018,57(17):10568-10575.
YU H W,YOUNG J,WU H P,et al.M4Mg4(P2O7)3(M=K,Rb):structural engineering of pyrophosphates for nonlinear optical applications[J].Chemistry of Materials,2017,29(4):1845-1855.
WEI P,CHEN W Q,JING Q,et al.Effects of P2O7 clusters arrangement on second harmonic generation responses of pyrophosphates[J].Journal of Alloys and Compounds,2020,827:153922.
SHELDRICK G M.A short history of SHELX[J].Acta Crystallographica Section A:Foundations of Crystallography,2008,64(1):112-122.
SPEK A L.Single-crystal structure validation with the program PLATON[J].Journal of Applied Crystallography,2003,36(1):7-13.
KUBELKA P,MUNK F.A contribution to the optics of pigments[J].Zeitschrift f¨ur Technische Physik,1931,12:593-599.
KURTZ S K,PERRY T T.A powder technique for the evaluation of nonlinear optical materials[J].Journal of Applied Physics,1968,39(8):3798-3813.
CLARK S J,SEGALLII M D,PICKARDII C J,et al.First principles methods using CASTEP[J].Zeitschrift f¨ur Kristallographie,2005,220(5/6):567-570.
PERDEW J P,BURKE K,ERNZERHOF M.Generalized gradient approximation made simple[J].Physical Review Letters,1996,77(18):3865-3868.
RAPPE A M,RABE K M,KAXIRAS E,et al.Optimized pseudopotentials[J].Physical Review B Condens Matter,1990,41(2):1227-1230.
BROWN I D.The chemical bond in inorganic chemistry[M].Oxford:Oxford University Press,2002.
LU X F,WU R L,JING Q,et al.Non-centrosymmetric Ba Na P3O9 with a short deep-ultraviolet cutoff edge[J].Journal of Alloys and Compounds,2018,764:170-176.
LI L,WANG Y,LEI B H,et al.Li Rb2PO4:a new deep-ultraviolet nonlinear optical phosphate with a large SHG response[J].Journal of Materials Chemistry C,2017,5(2):269-274.
0
浏览量
202
下载量
0
CSCD
关联资源
相关文章
相关作者
相关机构
京公网安备11010802024621
