Co2+离子在MgF2和ZnF2晶体中的各向异性g因子的理论研究

利用基于基团模型的3d⁷离子在斜方对称中的高阶微扰公式计算了MgF₂和ZnF₂晶体中Co²⁺杂质中心的各向异性g因子g_x，g_y和g_z. 在计算中，考虑了共价效应， 组态相互作用和斜方晶体场的贡献；而且与此相关的参量可由所研究的晶体的光谱和结构数据得到. 计算结果与实验符合较好.     

掺杂晶体材料Al2O3∶Ni2+中顺磁离子N2+局域结构及其电子顺磁共振参量的研究

按照叠加模型和微扰理论,建立了电子顺磁共振（EPR）参量（D, g_∥, g_⊥）与Al_2O3∶Ni²⁺晶体局域结构之间的定量关系. 利用EPR参量决定了Al₂O₃∶N i²⁺晶体的局域结构. 通过考虑适当的晶格畸变,成功地解释了Al₂O₃∶Ni²⁺晶体基态很大的零场分裂和各向异性的g因子. 获得了Ni²⁺ 离子上方最近邻的三个O^2-离子偏向111〕晶轴0.603°, 而Ni²⁺离子下方的三个O^2-离子偏向〔111〕晶轴0.598°.     

掺铜PTO晶体顺磁共振谱及局域结构的理论研究

基于晶体场理论,本文采用重叠模型和3d⁹电子组态在畸变四角晶场中的g因子和超精细结构常数A的三阶微扰计算公式以及钛酸铅PbTiO₃ (PTO): Cu²⁺晶体的局域结构与EPR谱之间的定量关系,合理解释了PTO: Cu²⁺晶体的EPR谱及局域晶体结构,所得结果与实验观测相符合.      

晶体PZCST:VO2+的EPR谱及光吸收谱的理论研究

采用双旋-轨耦合参量模型和3d¹电子组态在四角对称下的能级公式,计算了KZnClSO₄·3H₂O(PZCST): VO²⁺的EPR谱和光吸收谱,所得EPR谱和光吸收谱的理论结果与实验发现符合得很好. 研究发现,该晶体沿C₄轴局域对称结构呈压缩的四角畸变,其大小为0.47 nm;大的κ值表明VO²⁺的未配对电子的自旋极化对超精细结构常数有着较大的贡献.     

ZnS:Co2+晶体顺磁g因子的理论研究

提出了一个计算二元半导体中过渡金属(TM)离子顺磁g因子的共价模型,并用以计算了ZnS:Co²⁺晶体的g因子,计算值与实验值吻合很好,从而解决了用经典方法得到的g因子值与实验值相比偏小的问题.同时,通过对ZnS:Co²⁺晶体晶场光谱和顺磁g因子的分析,本文建议,在ZnS:Co²⁺晶体中,Co²⁺离子的t_2g电子和e_g电子部分处于反键轨道部分处于成健轨道.     

用固体核磁共振方法研究CeO2-γ-Al2O3混合氧化物中的Al状态

用固体核磁共振技术研究了CeO₂-γ-Al₂O₃ 混合体系中CeO₂ 和 γ -Al²O₃两相间的相互作用. 在混合物的²⁷Al MAS NMR 中,除了四配位和六配位的Al位外,有一个尖锐的位于37处的,这个峰在高场处有一宽的肩峰. 实验证实： 位于高场的宽峰来自于 γ-Al₂O₃中的五配位Al,而位于37处的尖峰则是由CeO₂ 和 γ-Al₂O₃两相间的相互作用产生的,即Al取代了CeO₂晶格中八配位的Ce. 定量研究表明,这种Al取代的量是极其有限的,整个CeO₂晶格只有1%的Ce能被Al取代.     

强耦合磁失措自旋冰系统Dy2Ti2O7单晶生长和基本磁性质测量

利用红外光源浮区法生长出大尺寸、高质量的磁失措自旋冰化合物Dy₂Ti₂O₇单晶体.X射线衍射实验证实晶体具有面心立方结构，空间群为Fd3m，晶胞参数a＝1.0112(2) nm，［111］和［400］方向X射线衍射摇摆曲线半高宽分别仅为0.07°和0.05°.直流磁化率与温度关系测量给出晶体的Van Vleck顺磁因子为2.46×10^-5 m³/mol，有效磁矩μ_eff＝10.24(4)μ_B，Cure-Weiss温度Θ_CW＝1.1 K，揭示Dy₂Ti₂O₇具有弱的铁磁性.对磁性起源的综合分析表明，该自旋冰晶体磁性质主要来源于磁偶极相互作用，且相关最近邻长程偶极相互作用能量标度D_nn＝3.00 K. 关键词： 2Ti₂O₇')" href="#">Dy₂Ti₂O₇ 浮区法晶体生长 关联电子系统 自旋冰     

CaF2:Co2+光谱和顺磁g因子的统一解释

基于半自洽场d轨道理论和完全对角化方法,从杂质局部结构统一解释了CaF₂:Co²⁺的光谱和顺磁 g 因子. 杂质局部结构存在塌缩效应,但仍保持八配位立方对称. 在此基础上,用微扰法和完全对角化方法讨论了g因子对晶场参量D_q的依赖关系. Macfarlane的 g 因子三阶微扰公式是好的近似公式,但随着D_q的减小,其有效性变差. 最后,文章讨论了基于完全对角化和自旋哈密顿理论的 g 因子公式的适用性,及其在轨道简并情况下的困难.     

PrNi$lt;sub$gt;2$lt;/sub$gt;的磁和磁热性能研究

在一些磁性材料内, 磁性离子间交换作用和磁性离子的自旋涨落对材料磁性有影响. 本文根据磁比热实验值确定了晶场参数后, 利用包含自旋涨落的交换作用有效场H_m= n₀ (1 + γ T + β e^{ω T})M, 计算了PrNi₂晶体晶场能级的Zeeman劈裂. 在温度为3.8 K ≤T≤ 30 K范围内, 计算了该晶体多晶磁矩随外磁场的变化, 以及外磁场H=5000 Oe时磁化率倒数随温度的变化, 计算结果和实验值符合较好. 当外磁场在0–50000 Oe时, 计算的该晶体的磁熵变与已有文献的理论结果相似. 计算结果说明, 提出的包含自旋涨落的交换作用有效场不仅适合亚铁磁性晶体, 而且也适合顺磁性晶体. 关键词： 2')" href="#">PrNi₂ 磁比热 交换作用有效场 磁矩 磁熵变     

DKDP晶体的拉曼散射谱分析

根据空间群理论分析和指认了磷酸二氘钾晶体[K(D_xH_1-x)₂PO₄,简称DKDP]的拉曼活性晶格振动模,测量了其室温拉曼光谱。结果表明DKDP晶体的晶格振动谱主要是由D₂PO-₄阴离子团簇的内振动引起的。与H₂PO-₄阴离子稀溶液的拉曼谱和NaD₂(PO₄)₂晶体的拉曼谱比较,DKDP晶体中D₂PO-₄阴离子的四个特征内振动模可被指认为881 cm-1(ν₁),357 cm-1(ν₂),514/541 cm-1(ν₃),965 cm-1(ν₄)。     

Preparation and Luminescence Characteristics of Ca3Y2（BO3）4：Eu^3＋ Phosphor

Ca3Y2 （BO3）4：Eu^3＋ phosphor is synthesized by high temperature solid-state reaction method, and the Iuminescence characteristics are investigated. The emission spectrum exhibits two strong red emissions at 613 and 621 nm corresponding to the electric dipole ^5 Do- ^7F2 transition of Eu^3＋ under 365 nm excitation, the reason is that Eu^3＋ substituting for Y^3＋ occupies the non-centrosymmetric position in the crystal structure of Ca3 Y2 （BO3）4. The excitation spectrum for 613 nm indicates that the phosphor can be effectively excited by ultraviolet （UV） （254 nm, 365nm and 400nm） and blue （470nm） light. The effect of Eu^3＋ concentration on the emission intensity of Ca3 Y2 （BO3）4 ：Eu^3＋ phosphor is measured, the result shows that the emission intensities increase with increasing Eu^3＋ concentration, then decrease. The CIE colour coordinates of Ca3Y2 （BO3）4：Eu^3＋ phosphor is （0.639, 0.357） at 15mol% Eu^3＋.     

Structural and electrical properties of La0.5Sr0.5CoO3 films on SrTiO3 and porous a-Al2O3 substrates

Films of La_0.5Sr_0.5CoO₃ (LSCO) have been deposited on specially treated TiO₂-terminated (001) SrTiO₃ substrate surfaces and on macroporous polycrystalline !-Al₂O₃ substrates, having a mean pore diameter of 80 nm, by pulsed laser deposition. The films deposited on SrTiO₃ are good conducting, (001) textured, and exceptionally smooth (1-2 Å for 100 nm thick films). LSCO films deposited on porous !-Al₂O₃ are polycrystalline and exhibit good crystallographic and electrical properties despite the large substrate roughness and the differences in lattice parameters and crystal structure between the film and the substrate. Different growth modes have been observed on the porous !-Al₂O₃ substrates depending on the oxygen pressure during film deposition. Films grown at an oxygen pressure of 10^-1 mbar are macroporous, whereas films grown at 10^-2 mbar completely cover the substrate pores. In the latter case, strain effects lead to film cracking.     

Spectral Hole-Burning of Eu^3＋：Y2SiO5 Crystal at 16 K

By using an Ar^＋ ion laser, a tunable Rh 6G dye laser （linewidth 0.5cm^-1） pumped by the second harmonic of a YAG：Nd laser and a Coherent 899-21 dye laser as light sources and using a monochromator, a phase-locking amplifier and a computer as the data detecting system, we detect the optical properties of Eu^3＋-doped Y2SiO5 crystal. Persistent ,spectral hole burning （PSHB） are observed in the Eu^3＋ ions spectral lines （^5 Do-T Fo transition） in the crystal at the temperature of 16K. For 15mW dye laser burning the crystal for 0.1 s spectral holes with hole width about 80 MHz both at 579.62nm and at 579.82nm are detected and the holes can remain for a long time, more than 10h.     

高温高压下SrB4O7：Eu2+玻璃的晶化

 利用X射线衍射和Eu²⁺发射光谱方法研究了非晶玻璃SrB₄O₇在高温高压下的晶化。结果表明：在5.0 GPa压力下，200 ℃仍为玻璃态，只有几个强度极低的小峰，表明有晶化的迹象；600 ℃时已基本晶化，但为SrB₄O₇正交相与SrB₄O₇高压立方相二相共存；当温度提高到1 000 ℃时，晶化成了近单相的与常压SrB₄O₇粉末晶体相同的正交结构。伴随晶化度的加强，Eu²⁺发射强度增强，与Ｘ射线衍射结果相一致。     

Electroluminescence from Multilayered Diamond/CeF3/SiO2 Films

We report a thin film electroluminescent device with a three-layer structure （diamond/CeF3/SiO2 films）, which has a luminance of 1.5 cd/m^2 at dc voltage 215 V. The electroluminescence spectrum at room temperature shows that the main peaks locate at 527 and 593nm, which are attributed to isolated emission centers of Ce^3＋ ions.     

Magnetic Behaviour of Sm2Co7/Fe/Sm2 Co7, Nanocomposite Trilayers with Cr and Ti Additions

Trilayered Sm2Co7/Fe/Sm2Co7 spring exchange magnets are fabricated by dc magnetron sputtering on MgO substrates. Very thin layers （0.3-0.7 nm） of Cr and Ti are added at the interfaces of the two magnetic phases. The thickness of StucCo7 is kept at 20nm and Fe at 6nm while the thickness of Cr and Ti are varied as 0.3, 0.5, and 0.7nm. The base pressure of sputtering chamber is kept below 10^-7 Torr and Ar pressure at 3-8m Torr. The samples are characterized by x-ray diffraction （XRD） and SQUID magnetometer. We report improvement in exchange coupling of nonacomposite magnets by addition of thin layers of Cr at interfaces.     

VUV/UV/X-Ray Excited Luminescent Properties of Eu^3＋ and Pr^3＋ Doped BiSbO4

Absorption spectra of BiSbO4 are studied. The electronic structure calculated by the DFT shows that BiSbO4 is a semiconductor, with direct band gap 2.96 eV, which is consistent with UV-visible diffuse reflectance experiment. The host lattice emission band is located at 440 nm under VUV excitation. Eu^3＋ and Pr^3＋ doped samples have high luminescence efficiency in emitting red and green light, respectively. From the partial density of states, Eu^3＋ doped emitting spectrum, and the host crystal structure parameters, the relationship between structure and optical properties is discussed. It is found that the Eu^3＋ ions occupied Bi^3＋ sites, and there could be an energy transfer from Bi^3＋ ions to RE^3＋ ions.     

Space-Selective Precipitation of Ba2TiSi2O8 Crystals in Sm3^＋-Doped BaO-TiO2-SiO2 Glass by Femtosecond Laser Irradiation

The ferroelectric crystal Ba2TiSi2O8 with high second-order optical nonlinearity is precipitated in Sm^3＋-doped BaO-TiO2-SiO2 glass by a focused 800hm, 250 kHz and 150fs femtosecond laser irradiation. No apparent blue and red emissions are observed at the beginning, while strong blue emission due to second harmonic generation and red emission due to the f-f transitions of Sm^3＋ are observed near the focal point of the laser beam after irradiation for 25s. Micro-Raman spectra confirm that Ba2 TiSi2O8 crystalline dots and lines are formed after laser irradiation. The mechanism of the phenomenon is discussed.     

ZrN-ZrB2纳米复合材料的高压制备及性能表征

 以金属锆粉（Zr）和六方氮化硼粉（h-BN）为原料,结合高能球磨和高温高压合成技术,制备出了ZrN-ZrB₂纳米复合材料。利用X射线衍射、透射电镜和拉曼光谱等测试手段,对材料的结构和合成规律进行了研究。结果表明,高能球磨过程中只合成出了ZrN_x,没有出现ZrB₂,从N、B原子与Zr进行固态反应的热力学和动力学方面分析了原因。利用Zr与BN粉球磨10 h后的混料,在压力为5 GPa、温度为1 300 ℃的条件下,制备出了具有高致密度的ZrN-ZrB₂纳米复合材料。其维氏显微硬度（17 GPa）、热膨胀系数（7.57×10^-6 ℃^-1）和电阻率-温度系数（8.846×10^-4 ℃^-1）等材料参数的测量结果表明,ZrN-ZrB₂复合材料是一种集优良的力学、热学和电学性能于一体的纳米复合材料。     

Broadband Infrared Luminescence from Bismuth-Doped GeS2--Ga2S3 Chalcogenide Glasses

Near-infrared luminescence is observed from bismuth-doped GeS2-Ga2Sa chalcogenide glasses excited by an 808 nm laser diode. The emission peak with a maximum at about 1260 nm is observed in 80GeS2-2OGa2 Sa：O.fBi glass and it shifts toward the long wavelength with the addition of Bi gradually. The full width of half maximum （FWHM） is about 200 nm. The broadband infrared luminescence of Bi-doped GeS2-Ga2Sa chalcogenide glasses may be predominantly originated from the low valence state of Bi, such as Bi＋. Raman scattering is also conducted to claxify the structure of glasses. These Bi-doped GeS2 Ga2Sa chalcogenide glasses can be applied potentially in novel broadband optical fibre amplifiers and broadly tunable laser in optical communication system.