粉末晶体Sr_xMg_(1-x)F_2(x=0.7,0.9)原子热振动的研究
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摘要
在高温烧结炉中对Sr_xMg_(1-x)F_2(x=0.7,0.9)进行了恒温1000℃-5 h烧结,用X射线测试仪对两种样品进行了衍射实验(XRD)。基于Rietveld精修方法的RIETAN-2000程序对所得实验结果进行了晶体结构解析,获得了晶体结构参数和原子热振动各向同性温度因子B。通过Maximum Entropy Method(MEM)解析得到了SrxMg1-xF2(x=0.7,0.9)晶体的等高电子密度分布图谱,实现了等高电子密度分布三维(3D)和二维(2D)的可视化,进一步确定了晶体结构和原子位置。
Sr_xMg_(1-x)F_2( x = 0. 7,0. 9) was sintered at a constant temperature of 1000 ℃ for 5 h in a high temperature sintering furnace. Diffraction experiments( XRD) of two samples using an X-ray tester.Based on the Rietveld refinement method,the RIETAN-2000 program was used to analyze the crystal structure of the obtained experimental results,and the crystal structure parameters and the isotropic thermal temperature factor B of the atomic thermal vibration were obtained. The contour electron density distribution of SrxMg1-xF2( x = 0. 7,0. 9) crystals was obtained by Maximum Entropy Method( MEM),which realized the visualization of contour electron density( 3 D) and( 2 D),the atomic position is further determined.
Sr_xMg_(1-x)F_2( x = 0. 7,0. 9) was sintered at a constant temperature of 1000 ℃ for 5 h in a high temperature sintering furnace. Diffraction experiments( XRD) of two samples using an X-ray tester.Based on the Rietveld refinement method,the RIETAN-2000 program was used to analyze the crystal structure of the obtained experimental results,and the crystal structure parameters and the isotropic thermal temperature factor B of the atomic thermal vibration were obtained. The contour electron density distribution of SrxMg1-xF2( x = 0. 7,0. 9) crystals was obtained by Maximum Entropy Method( MEM),which realized the visualization of contour electron density( 3 D) and( 2 D),the atomic position is further determined.
引文
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[2] Kesavulu C R,KiranKumar K,Jayasankar C K. Upconversion properties of E3+-doped Oxyfluoride glass-ceramics containing SrF2nanocrystals[A]. Proceedings of SPIE-The International Society for Optical Engineering[C]. 2014,8987:1-9.
[3]赵敏兰,香莲.采用Rietveld精修方法解析粉末晶体MgF 2、SrF2的原子热振动[J].原子与物理学报,2014,31,982-986.
[4]吴叶青,苏良碧,徐军,等. Yb:CaF2-SrF2精光晶体光学性能以及热学性能的研究[J].物理学报,2012,61(17). 177801-1-6.
[5]鞠强文,梅炳初,于浩,等. Pr,R3+:SrF2(R=Y,Gd)激光晶体光谱性能的研究[J].无机材料学报,2017,32(9). 943-948.
[6]钱珊,贾世杰,黄丽辉,等. Tb3+掺杂含SrF2纳米晶硅酸盐微晶玻璃的光学性质[J].发光学报,2017,38(7). 849-854.
[7]金庆华,冯少新,郭振亚,等.碱土氟化物离子晶体中缺陷形成能计算[J].物理学报,1999,48(7). 1261-1268.
[8] Izumi F,Young R A. The Rietveld Method[M]. Oxford Univ. Press,Oxford,1993,chap. 13.
[9] Izumi F,Dilanian R A. Recent Research Developments in Physics[M]. Vol. 3,PartⅡ,Transworld Research Network,Trivandrum,2002,699.
[10] Kaminckii A A,Bohaty L,Becker P,et al. Many-wavelength pipcosecond Raman Stokes and anti-Stokes comb lasing of cubic SrF2single crystal in the visibile and near-IR[J]. Laser physics Letters,2007,4(9):66.