氮化硅粉末的傅里叶变换红外光谱研究

利用透射法和漫反射法,研究了纯氮化硅粉末和KTBr烯释后样品的红外光谱特征,比较了不同方法获得得的红外光谱的异同,实验发现,纯氮化硅粉末的曼反射光谱在约1200cm^-1处出现一尖锐的强峰,而KBr稀释样品的透光谱和温反射光谱不出现此峰,研究认为,该峰对应氮化硅颗粒表面Si-O键的振动。     

超巨磁电阻材料Pr2/3Sr1/3MnO3薄膜输运性质的研究

对1/f噪声缺口的超巨磁电阻Pr_2/3Sr_1/3MnO₃薄膜样品从10K到室温的热电势值进行了测量，热电势为负值，低温下随温度线性变化，表现为金属扩散热电势，在150K开始急剧减小，过渡到与温度T成反比的变化关系，与小极化子模型相符.结合在电阻极大温度附近对电阻和1/f噪声行为的讨论，对于发生在电阻极大温度附近的相变过程，结果支持源于相分离的渝渗模型. 关键词： 稀土锰氧化物 热电势 渝渗模型     

CF3CDCl2分子红外多光子光热吸收谱

本文报道用铂丝光热吸收池作为探测器得到了CF₃CDCI₂的红外多光子吸收谱。并发现在线性吸收谱中944cm^-1处的吸收峰在多光子吸收谱中分裂为947cm^-1和927cm^-1两个吸收峰。这一现象与科里奥利力和非谐性引起的简正振动的耦合作用有关。这样,在用CF₃CDCI₂/CF₃CHCI₂体系分离氘同位素时,可以根据这一新结果选择更合适的激发波长。实验还发现在线性吸收谱中986cm^-1处的吸收峰在多光子吸收谱中出现约6cm^-2的红移。这种红移现象起源于分子振动能级的非谐性。 关键词：     

Er3+/Yb3+共掺杂氧氟硅酸盐玻璃的上转换发光

研究了Er^3 ／Yb^3 共掺氧氟硅酸盐玻璃的吸收光谱、上转换光谱和拉曼光谱。分析了氧氟硅酸盐玻璃中Yb”敏化Er^3 的上转换发光机理。结果表明：通过975nm的激光二极管激发,在室温下同时观察到蓝光(408nm)、绿光(529nm和545nm)和红光(667nm),分别是由于Er^3 离子。H9/2→^4I15/2,H11/2→^4I15/2,H3/2→^4I15/2和H9/2→^4I15/2跃迁。随Yb2O3浓度的增加。Yb^3 对Er^3 的能量转移增强,因此蓝光、绿光和红光的发光强度都增强,强烈的绿光和红光激发是由于双光子吸收过程,而微弱的蓝光是由于三光子吸收过程。拉曼光谱发现,对Er^3 离子在氧氟硅酸盐玻璃中的上转换发光。玻璃结构中的PbF2起到重要作用。     

59Co chemical shift anisotropy and quadrupole coupling for K3Co(CN)6 from MQMAS and MAS NMR spectroscopy

59Co triple-quantum (3Q) MAS and single-pulse MAS NMR spectra of K3Co(CN)6 have been obtained at 14.1 T and used in a comparison of these methods for determination of small chemical shift anisotropies for spin I = 7/2 nuclei. From the 3QMAS NMR spectrum a spinning sideband manifold in the isotropic dimension with high resolution is reconstructed from the intensities of all spinning sidebands in the 3QMAS spectrum. The chemical shift anisotropy (CSA) parameters determined from this spectrum are compared with those obtained from MAS NMR spectra of (i) the complete manifold of spinning sidebands for the central and satellite transitions and of (ii) the second-order quadrupolar lineshapes for the centerband and spinning sidebands from the central transition. A good agreement between the three data sets, all of high precision, is obtained for the shift anisotropy (delta(sigma) = delta(iso) - delta(zz)) whereas minor deviations are observed for the CSA asymmetry parameter (eta(sigma)). The temperature dependence of the isotropic 59Co chemical shift has been studied over a temperature range from -28 to +76 degrees C. A linear and positive temperature dependence of 0.97 ppm/degree C is observed.     

面向浑浊水体叶绿素a浓度遥感反演的光谱基线校正

根据浑浊水体中悬浮物的光学性质,提出使用线性基线校正方法来削弱水体光谱中的悬浮泥沙贡献。线性基线定义为450和750 nm的反射率值连线,基线校正为光谱反射率减去基线。2010年3月和2011年4月太湖梅梁湾水体的实测数据验证结果表明,光谱线性基线校正可以较好的提高叶绿素a浓度的反演精度,改进反演模型的诊断性。3月数据建立的波段比值反演模型中,校正前模型RMSE为4.11 mg·m-3,基线校正后模型RMSE为3.58 mg·m-3,同时,基线校正后模型残差的方差齐性和正态分布均有明显的改善。4月模型有类似结果,数据校正后的模型具有更小的误差。在没有水华发生的浑浊水体中,线性基线校正可以作为提高水体叶绿素a浓度反演精度的光谱数据处理方法。     

准立方体α-Fe_2O_3纳米薄膜的紫外和红外光谱研究

采用浸渍提拉法制备了准立方体α-Fe2O3纳米薄膜,利用XRD、AFM、UV-Vis和FT-IR对其表面形貌和谱学性质进行了表征。结果表明,α-Fe2O3单层膜是由粒径约为58nm的粒子排布而成,在568、482和386cm-1处有特征红外吸收峰,在紫外区375nm处存在明显的吸收,为Fe-O间的电子跃迁,其吸光度值与膜层数间的较好线性关系说明在一定的速度下挂膜,可以将氧化铁溶胶中的纳米粒子较好地转移到基片上。     

Many-body effect in the coincidence L3 and M3 photoelectron spectroscopy spectra of Cu metal

The coincidence L₃ and M₃ photoelectron spectroscopy (PES) main lines of Cu metal are calculated by a many-body theory. There is no peak-energy shift between the singles PES main line and the coincidence one. The asymmetric narrowing of the coincidence PES main line on the low kinetic energy (KE) side is very small. This is in accord with recent experimental findings. In Cu metal, the shakeup satellite intensity is small and the main-line satellite separation energy is much larger than the core–hole lifetime width. The interference via the final-state interaction is negligible. In the PES main line, the imaginary part of the self-energy by shakeup excitations, which is very small compared to the core–hole lifetime width, decreases very slowly in linear with photoelectron KE. The branching ratio of Auger decay of a single hole state then increases very slowly in linear with photoelectron KE so that the deviation of the coincidence PES main line from the singles one is very small. The 939 eV structure seen only in the coincidence L₃ PES spectrum of Cu metal is attributed to the enhancement of the inelastic peak of a smaller energy loss due to electrons of a smaller average emission depth measured in coincidence with the elastic Auger peak. The structure will not be enhanced in the singles PES spectrum. The background subtraction in the coincidence spectrum cannot be the same as that in the singles one. Such consideration is necessary before we can conclude about the asymmetric narrowing on the low KE side. A unique capability of APECS by which one can determine the photoelectron KE dependent part of the imaginary part of the self-energy is pointed out.     

Pressure dependence of the Raman modes of LiIO3

The pressure dependence of the Raman modes of LiIO₃ at room temperature was studied up to 78 kbar in a gasketed sapphire-anvil cell. Nonlinear frequency increases were observed in all modes involving translation of the light Li⁺ atom. This behavior is more marked in the lowest frequency A mode, which involves translations along the c-axis. Other modes slow smaller linear frequency increases, with increasing pressure. The TO-LO splittings of all but the highest frequency modes are seen to be independent of pressure. This indicates that charge transfer between ions is negligible. For modes derived from internal vibrations of IO₃^- ions an increase in this splitting with increasing pressure is observed, indicating some intra-ion redistribution of charge. Mode Grüneissen parameters are obtained for representative modes of all allowed symmetries in each of the three frequency ranges in which the Raman spectrum of the material can be divided.     

不同波长激发下YLiF4：Er3+,Tm3+,Yb3+的发光

水热法合成了YLiF₄:Er³⁺,Tm³⁺,Yb³⁺,其中Er³⁺、Yb³⁺和Tm³⁺的摩尔分数分别为1%、1.5%和2%。当用355nm光激发时,其发光为蓝色,峰值位于450nm,对应于Tm³⁺的¹D₂→³F₄跃迁。用378nm激发时,发光为绿色,主要发光峰位于552nm。980nm光激发时,发光为白色,发光峰分别位于665(651),552(543),484,450nm处,并在648nm处还观察到了一个发光峰,其中最强的发射为红光。YLiF₄:Er³⁺,Tm³⁺,Yb³⁺的蓝光来源于Tm³⁺的激发态¹G₄到基态³H₆的跃迁,绿光来源于Er³⁺的⁴S_3/2和²H_11/2到基态⁴I_15/2的跃迁,红光既来源于Tm³⁺的¹G₄→³F₄的跃迁,也来源于Er³⁺的⁴F_9/2→⁴I_15/2的跃迁。在上转换发光中,还探测到了紫外光359nm的发射。监测665nm得到的激发光谱不同于监测552nm的激发光谱,在665nm的激发光谱中出现了对应Tm³⁺的¹G₄能级的峰。在双对数曲线中,蓝光484nm、绿光552nm和红光665nm的斜率分别为2.25、2.28和2.21,紫外光359nm的斜率为2.85。因此在980nm激发下,蓝光484nm、绿光552nm和红光665nm都是双光子过程,紫外光359nm的发射是三光子过程。     

Luminescence spectrum from hexagonal YMnO3

Luminescence spectrum and its temperature dependence have been investigated for hexagonal YMnO₃ crystal which is ferroelectric below T_C=914 K and becomes simultaneously antiferromagnetic below T_N=74 K. The luminescence spectrum is as broad as two-magnon Raman scattering spectrum. The luminescence intensity is comparable to the latter at room temperature and it increases rapidly as the temperature decreases. These characteristics are discussed based upon other optical responses and theoretical results.     

Ab initio study of the linear and nonlinear optical responses in BiAlO3

The linear and non-linear optical properties of BiAlO₃ are studied by employing the density functional perturbation theory within the local density and generalized gradient approximations. The computations are based on the electronic structure obtained within density functional theory. The optical properties such as the dielectric function, refractive index, spectral reflectivity, absorption coefficient and electron energy-loss spectrum are obtained in the energy region of up to 30 eV. The calculated value of the birefringence for BiAlO₃ shows that it is a uniaxial negative crystal and has a large birefringence. We also report our studies on the second harmonic generation response coefficient over a large frequency range for BiAlO₃ crystal. The predicted second-order optical spectra indicate pronounced structures related to of 1ω and 2ω frequency resonances. Furthermore, the non-linear optic and linear electro-optic coefficients are computed by employing 2n + 1 theorem applied to an electric-field dependent energy functional. The results are compared with the available calculations.     

水杨酸-Tb3+(Gd3+)络合物的高效发光

合成了水杨酸-Tb3+和水杨酸-Tb3+(Gd3+)高效发光材料.通过发射光谱、激发光谱和荧光衰减时间的测定,观察到了水杨酸根与Tb3+之间的能量传递,并获得了高效发光.以Gd3+代替4/5摩尔的Tb3+也得到较好的结果.     

Fluence and wavelength dependence of the IRMPA and IRMPD of CDCl3 with a CO2 laser

A TEA CO₂ laser was used to study the infrared multiple-photon absorption (IRMPA) and dissociation (IRMPD) spectra of CDCl₃ in the fluence ranges 0.01–1.4 and 7–45 J/cm², respectively, for different sample pressures. Experimental results were modeled with a master equation formulation which includes rotational and anharmonic bottlenecks and collisional effects. Experimental and calculated results show that CDCl₃ has great rotational and anharmonic restrictions at the first stages of excitation. The IRMPD spectrum falls more slowly than the linear absorption spectrum at the blue wing due to intramolecular vibrational relaxation at the quasi-continuum level of excitation.     

LiYF4:Nd3+中脉冲光泵浦的上转换蓝光

本文报道利用578.4nm的脉冲光泵浦,在室温和77K下,观察到LiYF4:Nd3+单晶中的上转换蓝光。由发光强度与泵浦光强度平方的直线关系,确定此上转换过程是双光子过程.通过对吸收谱和激发谱以及衰减曲线的研究,确定其上转换激发机制为两步激发和能量传递上转换。     

Nd~(3+)/Yb~(3+)掺杂YNbO_4粉末上转换发光特性

采用高温固相法,以50Nb_2O_5-40Y2O_3-2Nd2O_3-8Yb_2O_3的量比在1 300℃下制备Nd~(3+)/Yb~(3+)掺杂YNbO_4粉末样品。运用Judd-Ofelt理论研究样品光谱特性。由吸收谱中各吸收峰面积计算得到谱线强度参数Ωλ(λ=2,4,6),进而得出理论振子强度及实验振子强度,二者均方根偏差δ_(rms)=1.618×10-7。计算了Nd~(3+)能级4F3/2→4IJ'(J'=15/2,13/2,11/2,9/2)跃迁几率、跃迁分支比和能级寿命。4F3/2→4I11/2跃迁分支比最高(56.91%),对应波长1 062 nm。且亚稳态4F3/2能级寿命较长,为1.435 2 ms,适合作为上转换中间能级。在980 nm半导体激光器激发下,观测到波长为487,541,662 nm上转换发光,分别对应于Nd~(3+)的2G9/2→4I9/2、4G7/2→4I9/2和4G7/2→4I13/2辐射跃迁。通过样品上转换发射功率与激光器工作电流进行的曲线拟合,得到吸收光子数目依次为2.06,1.99,2.15,确定3个发射峰均对应于双光子吸收。     

Σ hypernuclear spectra from (K, π) inclusive reactions

We report on DWIA calculations of the pion inclusive spectra related to Σ-formation in (K⁻, π⁺) reactions on nuclei. Realistic distorted waves are used to describe the incoming kaon and outgoing pion. The Σ wave function is calculated in a real Woods-Saxon potential, the depth of which provides information about the underlying Σ N effective interaction. The absorptive effect due to the Σ-Λ conversion process in the nuclear medium is taken into account by effective two-channel coupled equations. Comparisons are made with the available data on ¹²C and ¹⁶O. Using a weak Σ-nucleus potential the overall agreement is satisfactory for the spectrum derived from kaon-in-flight experiments. Concerning the three peaks reported in a stopped kaon experiment on ¹²C, the lowest peak structure can be generated by increasing the depth of the Σ potential in ¹²C. However, the remaining two narrow structures cannot be reproduced as Σ-particle-proton-hole states in our continuum treatment of the Σ spectrum. The difficulties in extracting the strength of the Σ-nucleus spin-orbit potential are also discussed.     

LiCaBO_3:Sm~(3+)材料的发光特性(英文)

以CaCO3(99.9%)、Li2CO3(99.9%)、Na2CO3(99.9%)K2CO3(99.9%)、H3BO3(99.9%)、Sm2O3(99.9%)为原料,按所设计的化学计量比称取以上原料,在玛瑙研钵中混合均匀并充分研磨,装入刚玉坩埚,采用固相法制备LiCaBO3:Sm3+材料;通过美国XRD6000型X射线衍射仪和日本岛津RF-540荧光分光光度计对材料的性能进行表征,所有测量均在室温条件下进行。LiCaBO3:Sm3+材料的发射光谱由三个橙红色发射峰组成,主峰位于561,602,651nm,分别对应Sm3+的4G5/2→6H5/2、4G5/2→6H7/2和4G5/2→6H9/2跃迁;监测602nm发射峰,得到其激发光谱由320～420nm的宽激发带组成。由激发和发射光谱看出,LiCaBO3:Sm3+能够有效地被紫外LED芯片激发,发射红色光。研究了Sm3+浓度(x)对LiCa1-xBO3:xSm3+材料发射强度的影响,结果表明:随Sm3+浓度的增大,发射强度先增强后减弱,Sm3+掺杂摩尔分数为3%时,发射强度最大,依据Dexter理论,计算得出其浓度猝灭机理为电偶极-偶极相互作用。掺入电荷补偿剂Li+、Na+和K+均提高了LiCaBO3:Sm3+材料的发射强度。     

白光LED用Ca3Si3O9：Dy3+荧光粉的制备及其发光性能

采用溶胶-凝胶法制备了可用于白光LED的新型Ca₃Si₃O₉:Dy³⁺荧光粉, 通过对样品的X 射线衍射谱及光致发光光谱的测试和表征, 研究了Ca₃Si₃O₉:Dy³⁺的物相结构和发光性能. 结果显示, Ca₃Si₃O₉:Dy³⁺的发射光谱是由位于483 nm和577 nm处的主峰构成的双峰谱线, 激发光谱为多峰宽谱, 谱峰位于290–480 nm范围内. Dy³⁺掺杂浓度对Ca₃Si₃O₉:Dy³⁺发光性能有明显的影响, 随着Dy³⁺浓度的增大, Ca₃Si₃O₉:Dy³⁺的发光强度和黄、蓝光发射强度比 (Y/B) 均呈现先增大后减小的规律, 最大发光强度值对应的Dy³⁺浓度为1 mol%. 电荷补偿剂Li⁺能提高Ca₃Si₃O₉:Dy³⁺的发光强度, 特别当Li⁺浓度为2–4 mol%时, 荧光粉的蓝光发射强度显著增大. 关键词： 白光LED 溶胶-凝胶法 3Si₃O₉：Dy³⁺')" href="#">Ca₃Si₃O₉：Dy³⁺ 发光特性     

Pairwise Interactions of Fe3+ Ions in InBO3 Crystals

Measurements of the electron paramagnetic resonance (EPR) of Fe³⁺ ion pairs in InBO₃ crystals are conducted. Some parts of the procedure of spectrum identification without measuring the temperature dependence of the resonant line intensities have been developed. Experimental curves of the second- and fourth-order axial Hamiltonian constants D _S and (a – F)_S, respectively, of the total spin number S are constructed. The single-ion second-order axial constant D _c is well described by a linear dependence on S. The constant (a – F)_S has a quadratic dependence.