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Crystal structure and photoluminescence of Tb3+ doped Y3GaO6

Journal of Alloys and Compounds

A solid solution with formula (Y1-xTbx)(3)GaO6 (x = 0-0.5) was prepared by solid-state reaction method. Powder X-ray diffraction (XRD) shows that Y3GaO6 is isostructural to Gd3GaO6 (Cmc2(1)), and the lattice parameters are a = 8.8364(1) angstrom, b = 11.0899(1) angstrom and c = 5.3937(1) angstrom. Atomic parameters were derived by Rietveld refinement of the XRD pattern. Photoluminescence (PL) spectra show a strong green emission of 543 nm from the D-5(4) -> F-7(5) transition of Th3+ at room and liquid nitrogen temperature. There is a wide saturation range of the PL intensity for the Th3+ content from x = 0.04-0.20, and a long life time about 1200 mu s for the green 543 nm emission at room temperature. (c) 2006 Elsevier B.V. All rights reserved.

关键词: Y3GaO6;crystal structure;Tb3+ doped;photoluminescence;luminescence properties;dependence;y3al5o12;phosphor;ions;ce3+;tb-3;uv

A systematic study on crystal structure and magnetic properties of Ln(3)GaO(6) (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)

Journal of Solid State Chemistry

The crystal structures of a series of compounds with the composition Ln(3)GaO(6)(Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er) synthesized by solid-state reaction at 1400degreesC are investigated. X-ray diffraction shows that Ln3GaO6 has a non-centro symmetric orthorhombic structure (space group Cmc2(1)). Lattice parameters a, b, c and cell volume and the average distances between Ln(l)-O, Ln(2)-O of these compounds decrease with the decreasing of the radii of trivalent Ln ions, which accord with the expected lanthanide contraction behavior. There are two sites of seven-fold coordination for Ln atoms with oxygens, and Ga atoms are in oxygen tetrahedra which are distorted and elongated along the a-axis. Magnetization measurements indicate that the susceptibility X changes with temperature in Curie-type manner. (C) 2004 Elsevier Inc. All rights reserved.

关键词: Ln(3)GaO(6);crystal structure;Rietveld refinement;X-ray diffraction;garnets

Optical spectra of Ln(3+)(Nd3+, Sm3+, Dy3+, Ho3+, Er3+)-doped Y3GaO6

Journal of Luminescence

Ln(3+) (Ln = Nd, Sm, Eu, Gd, Dy, Ho, Er)-doped Y3GaO6 compounds were prepared by solid-state reaction, and their optical spectra such as absorption, photoluminescence, excitation and time-resolved spectra have been measured for Ln Nd, Sm, Dy, Ho, Er. X-ray powder diffraction shows that the lattice parameters of the compounds (Y(0.96)Ln(0.04))(3)GaO6 decrease with the decrease of the radii of trivalent Ln(3+) ions, indicating that Ln(3+) ions have substituted for y(3+) ions in the lattice. Optical spectra show that there are obvious absorptions at ultraviolet to visible region. The strong emissions in visible and infra-red region show that Y3GaO6 is a suitable host for rare-earth-doped laser crystal and phosphor materials. (C) 2004 Elsevier B.V. All rights reserved.

关键词: crystal-field;absorption-spectra;luminescence;y3ga5o12;glasses;garnet;y2o3;ions;laf3;tb3

Optical properties of (Y1-xTmx)(3)GaO6 and subsolidus phase relation of Y2O3-Ga2O3-Tm2O3

Journal of Solid State Chemistry

A serial of samples in Y2O3-Ga2O3-Tm2O3 pseudo-ternary system are prepared by solid-state chemical reaction method. The range of solid solution in (Y1-xTmx)(3)GaO6 is 0 < x < 0.384. Powder X-ray diffraction shows that the compounds crystallize in Gd3GaO6 (Cmc2(1))-type structure. The solid solubilities of Y3+xGa5-xO12 (x = 0-0.77) and Tm3+xGa5-xO12 (x = 0-0.62) are 37.5-47.11 at% Y2O3, and 37.5-45.26 at% Tm2O3, respectively. PL spectra of Tm-doped Y3GaO6 show that there is a sharp blue emission at similar to 456 nm from the D-1(2) -> F-3(4) transition at room temperatures with two lifetimes (similar to 5 and similar to 15 mu s) and a narrow saturation range of PL intensity for the Tm3+ content from x = 0.005 to 0.03. The sharp emission and long lifetime of (Y1-xTmx)(3)GaO6 indicate that Y3GaO6 is a potential phosphor and laser crystal host material. (c) 2005 Elsevier Inc. All rights reserved.

关键词: Tm3+ -doped Y3GaO6;Y2O3-Ga2O3-Tm2O3 system;(Y1-xTmx)(3)Ga5O12 solid;solution;luminescence;crystal-structure;luminescence;phosphor;cations;ions;tb3

不同温度下碳源对AOA-SBR工艺PAO与GAO竞争释磷的影响

张兰河 , 李德生 , 王旭明 , 张海丰

硅酸盐通报

为了提高生物除磷效率,研究采用AOA-SBR工艺进行了长期连续除磷实验,考察不同温度下碳源(乙酸钠、丙酸钠、葡萄糖)对PAO与GAO竞争的影响.结果表明:当温度由10℃升高至25℃时,利用丙酸钠作为碳源时,污泥含磷量与含糖量分别从7.2%和5.1%升高至7.9%和6.3%,PHA转化量升高了23.1 mg/L,厌氧释磷量从105.9 mg/L升高至149.9 mg/L,VSS/MLSS由71%降低至65%;利用乙酸钠作为碳源时,污泥含磷量与含糖量分别从6.9%和5.3%升高至7.6%和6.7%,PHA转化量升高了23.9 mg/L,厌氧释磷量从73.8 mg/L升高至108.8 mg/L,VSS/MLSS由73%降低至71%;利用葡萄糖作为碳源时,污泥含磷量与含糖量分别从5.8%和6.3%升高至6.6%和8.8%,PHA转化量升高了33.2 mg/L,厌氧释磷量从37.4 mg/L升高至43.2 mg/L,VSS/MLSS由80%升高至88%.当温度升高至30℃时,3个反应器均出现厌氧末期PHA浓度下降和糖原浓度升高,厌氧释磷量减少,污泥含磷量均下降,污泥含糖量上升,VSS/MLSS均很高.与葡萄糖相比,采用乙酸钠和丙酸钠作为碳源,有利于PAO生长繁殖,PAO为优势菌种,抑制GAO增殖.同时,低温更有利于PAO的生长繁殖.

关键词: 温度 , 碳源 , SBR , PAO与GAO

预测复合材料非线性有效介电系数的割线方法

周萧明 , 胡更开

复合材料学报 doi:10.3321/j.issn:1000-3851.2004.06.026

提出了预测复合材料非线性电位移和电场强度关系的一种解析方法,该方法基于各向材料的割线介电常数,将非线性问题转化成一系列线性问题来求解.该方法适用于任意各向异性复合材料和组分材料的非线性性质,而常用的Stroud和Hui的模型只适用于各向同性复合材料和组分材料的弱线性.证明了本文方法具有Ponte Castaneda提出的变分结构.计算结果表明,当基体非线性较小时,本文模型的预测与Stroud和Hui的模型一致,但当基体非线性系数增大时,本文模型能给出合理的预测结果,而Stroud和Hui的模型则会超出基体和夹杂的性能范围.

关键词: 复合材料 , 介电常数 , 非线性 , 割线方法

Mg单原子替位掺杂β-Ga2O3的电子结构和光学性质计算研究

宋庆功 , 徐霆耀 , 杨宝宝 , 郭艳蕊 , 陈逸飞

材料导报 doi:10.11896/j.issn.1005-023X.2015.18.027

宽禁带半导体β-Ga2O3因其出色的物理化学性能而备受关注,通过掺杂改善β-Ga2O3性能一直是研究的热点.采用基于密度泛函理论的第一性原理方法,利用广义梯度近似加U对Mg单原子掺杂β-Ga2O3体系的晶体结构、电子结构和光学性质等进行了研究和分析.总能量和结合能的对比显示:单原子替位掺杂β-Ga2O3时,Mg优先替代八面体位的Ga原子形成Mg-Gao体系.电子结构显示,Mg-Gao体系变为间接半导体,带隙变窄为4.672eV;其自旋极化率为100%,呈现半金属特性.作为光学材料,Mg-Gao体系可在紫外、深紫外区域工作,并且折射率、反射率和吸收率有所降低,透射率明显提高.

关键词: Mg掺杂β-Ga2O3 , 第一性原理 , 晶体结构 , 电子结构 , 光学性质

Hardness of T-carbon: Density functional theory calculations

Physical Review B

We reconsider and interpret the mechanical properties of the recently proposed allotrope of carbon, T-carbon [Sheng et al., Phys. Rev. Lett. 106, 155703 (2011)], using density functional theory in combination with different empirical hardness models. In contrast with the early estimation based on Gao et al.'s model, which attributes to T-carbon a high Vickers hardness of 61 GPa comparable to that of superhard cubic boron nitride (c-BN), we find that T-carbon is not a superhard material, since its Vickers hardness does not exceed 10 GPa. Besides providing clear evidence for the absence of superhardness in T-carbon, we discuss the physical reasons behind the failure of Gao et al.'s and Simunek and Vackar's (SV) models in predicting the hardness of T-carbon, residing in their improper treatment of the highly anisotropic distribution of quasi-sp(3)-like C-C hybrids. A possible remedy for the Gao et al. and SV models based on the concept of the superatom is suggested, which indeed yields a Vickers hardness of about 8 GPa.

关键词: superhard rhenium diboride;elastic-constants;ambient-pressure;metal;borides;crystals;diamond;search;boron

Ab initio structure determination of a new compound, beta-SrGaBO4, from powder X-ray diffraction data

Journal of Solid State Chemistry

A new compound, beta-SrGaBO4, has been attained through solid phase transition from alpha-SrGaBO4 at high temperatures. Its crystal structure has been determined from powder X-ray diffraction data by direct methods. The refinement was carried out using the Rietveld method and the final refinement converged with Rp = 11.42 % and Rwp = 15.16 %. It has an orthorhombic P2(1)2(1)2 space group with cell parameters a = 15.3706(2) Angstrom b = 8.992 1 (1) Angstrom, c = 5.919 1 (1) A, and Z = 8. The structure of beta-SrGaBO4 is built up from Ga2BO8 units formed by two GaO4 tetrahedra and one BO3 triangle, and Sr2O12 units formed by two SrO7 groups. Tetrahedra [GaO4] are linked by shared O(3) and O(7) atoms to form infinite chains along the e axis. (C) 2002 Elsevier Science, (USA).

关键词: beta-SrGaBO4;borate;structure determination;X-ray powder diffraction;crystal-structure

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