Tm:Y2SiO5晶体的生长和光谱性质研究

采用中频感应提拉法生长了高质量的Tm:Y₂SiO₅(Tm:YSO)晶体,测定了晶体的晶格常数和分凝系数.运用劳厄照相法确定了单斜晶系Tm:YSO晶体的三个偏振轴〈010〉,D₁和D₂,在室温下测量了三个偏振轴方向的吸收光谱、荧光光谱和荧光寿命,计算了晶体吸收峰的吸收线宽和吸收截面.研究发现,相对于其他两个偏振轴方向,D₁方向在790nm处出现较强的吸收峰, 关键词： 2SiO₅')" href="#">Tm:Y₂SiO₅ 单斜晶系 吸收光谱 荧光光谱     

YbVO4晶体的受激拉曼散射

采用腔外单次通过方式,研究了一种新型晶体YbVO₄的受激拉曼散射.当抽运激光为532 nm皮秒脉冲时获得了3级斯托克斯线(558.47 nm, 587.92 nm, 620.67 nm)和1级反斯托克斯线(507.58 nm),测得YbVO₄晶体1级斯托克斯受激拉曼散射的稳态增益系数为17.8±0.2 cm/GW,受激拉曼散射的整体转换效率达到37%.实现了YbVO₄晶体对355 nm皮秒激光的受激拉曼散射,观察到1级斯托克斯线(366.1 关键词： 受激拉曼散射 稳态增益系数 转换效率 4晶体')" href="#">YbVO₄晶体     

自受激拉曼晶体Nd3+:SrMoO4的光谱性质研究

通过拉曼散射光谱，吸收光谱，荧光发射寿命和808 nm LD激发下的红外荧光光谱的实验测量，系统研究了Nd³⁺:SrMoO₄晶体的自受激拉曼光谱性质.分析指认了拉曼散射光谱中各拉曼峰所对应的晶格振动模式，得出了其SRS活性最强的声子频率约为898 cm^-1，对应于(MoO^2-₄)离子团的完全对称光学伸缩振动A_g模；通过J-O理论对晶体的吸收谱进行了全面的光谱参数计算，得出⁴F_3/2→⁴I_11/2跃迁的积分发射截面达0.57×10^-18 cm²，自发辐射概率为141.06 s^-1；同时，实验测得该跃迁的荧光发射寿命约为0.2 ms.最后，结合808 nm LD激发下的红外波段荧光光谱，论证了SrMoO₄晶体中Nd³⁺离子1068 nm发射通过拉曼频移获得1180 nm一级斯托克斯激光发射的可能性，为Nd³⁺:SrMoO₄晶体的自受激拉曼激光器研究提供了理论依据. 关键词： 3+离子')" href="#">d³⁺离子 4 晶体')" href="#">SrMoO₄ 晶体 自受激拉曼散射     

Ultraviolet laser-induced voltages in LaSrAlO4 single crystal

Laser-induced ultrafast photovoltaic effect is observed in LaSrAlO4 single crystal at ambient temperature without any applied bias. An open-circuit photovoltage is obtained when the wafer is irradiated by a 248-nm-KrF laser pulse of 20 ns duration. The response time and full width at half maximum of the photovoltage pulse are 6 ns and 19 ns, respectively, indicating that LaSrAlO4 single crystal has potential application in ultraviolet detector.     

非线性光学晶体HgGa2S4 和 Hg0.5Cd0.5Ga2S4的能带结构、化学键及光学性质研究

用密度泛函理论和非谐振子模型计算了晶体HgGa₂S₄和Hg_0.5Cd_0.5Ga₂S₄的能带结构、态密度、化学成键及线性、非线性光学性质。结果表明：HgGa₂S₄的价带顶部主要是Ga-S成键态的贡献，导带底部主要是Ga-S反键态的贡献; Hg_0.5Cd_0.5Ga₂S₄的价带顶部主要由S-3p轨道组成，导带底部主要是Ga-S反键态的贡献。布居分析表明Ga-S键主要是共价成分，而Hg-S和Cd-S键主要是离子成分。HgGa₂S₄的折射率计算值与实验值在低能量区很好吻合。另外，HgGa₂S₄的能隙计算值比Hg_0.5Cd_0.5Ga₂S₄小，而二阶非线性极化率比Hg_0.5Cd_0.5Ga₂S₄大。     

Infrared active phonon modes and ionicity of single crystal MgAl2O4

Near-normal incident infrared reflectivity spectra of （100） MgAl2O4 spinel single crystal have been measured at different temperatures in the frequency region between 50 and 6000 cm^-1. Eight infrared-active phonon modes are identified, which are fitted with the factorized form of the dielectric function. The dielectric property and optical conductivity of the MgAl2O4 crystal are analysed. From TO/LO splitting, the effective Szigeti charges and Born effective charges at different temperatures are calculated for studying the ionicity and the effect of polarization. Based on the relationship between the （LO-TO）1 splitting, which represents the transverse and longitudinal frequencies splitting of the highest energy phonon band in the reflectivity spectrum, and the ionic-covalent parameter, the four main phonon modes are assigned. MgA1204 can be considered as a pure ionic crystal and its optical characters do not change with decreasing temperature, so it may be used as a suitable substrate for high-Tc superconducting thin films.     

Electronic structure and optical properties of Nb-doped Sr2TiO4 by density function theory calculation

This paper investigates the effect of Nb doping on the electronic structure and optical properties of Sr2TiO4 by the first-principles calculation of plane wave ultra-soft pseudo-potential based on density functional theory(DFT).The calculated results reveal that due to the electron doping,the Fermi level shifts into conduction bands(CBs) for Sr2 Nb x Ti1 x O4 with x=0.125 and the system shows n-type degenerate semiconductor features.Sr2TiO4 exhibits optical anisotropy in its main crystal axes,and the c-axis shows the most suitable crystal growth direction for obtaining a wide transparent region.The optical transmittance is higher than 90% in the visible range for Sr2 Nb 0.125Ti0.875O4.     

Yb3+:Gd2SiO5晶体的结构和光谱性能

采用提拉法成功生长尺寸为φ30 mm× 75 mm的15at.%Yb³⁺:Gd₂SiO₅单晶, 并用Reitveld全谱拟合方法确定了其晶格常数、原子坐标和温度因子等参数. 用吸收光谱计算了Yb³⁺离子²F_7/2↔ ²F_5/2能级跃迁的振子强度、谱线强度、跃迁概率、 能级寿命和积分发射截面等光谱参数, 并根据激光性能评估得出结论: 表明该晶体具有较大的阈值特性, 有望采用大功率激光二极管泵浦实现可调谐或超快激光输出.     

Radiation damage effects on power VDMOS devices with composite SiO2–Si3N4 films

Total dose effects and single event effects on radiation-hardened power vertical double-diffusion metal oxide semiconductor (VDMOS) devices with composite SiO₂-–Si₃N₄ film gate are investigated. The relationships among the important electrical parameters of the samples with different thickness SiO₂-–Si₃N₄ films, such as threshold voltage, breakdown voltage, and on-state resistance in accumulated dose, are discussed. The total dose experiment results show that the breakdown voltage and the on-state resistance barely change with the accumulated dose. However, the relationships between the threshold voltages of the samples and the accumulated dose are more complex, not only positive drift, but also negative drift. At the end of the total dose experiment, we select the group of samples which have the smaller threshold voltage shift to carry out the single event effect studies. We find that the samples with appropriate thickness ratio SiO₂-–Si₃N₄ films have a good radiation-hardening ability. This method may be useful in solving both the SEGR and the total dose problems with the composite SiO₂-–Si₃N₄ films.     

溶胶-凝胶法制备Sr2Bi4Ti5O18薄膜及其铁电性能研究

采用溶胶-凝胶法,在氧气氛中和层层晶化的工艺条件下,成功地制备了沉积在Pt/Ti/SiO₂/Si(100)衬底上的铁电性能优良的Sr₂Bi₄Ti₅O₁₈ (SBTi)薄膜,并研究了SBTi薄膜的微结构、表面形貌、铁电性能和疲劳特性.研究表明：薄膜具有单一的层状钙钛矿结构，且为随机取向；薄膜表面光滑，无裂纹，厚度约为725nm；铁电性能测试显示较饱和、方形的电滞回线，当外电场强度为275kV/cm时 关键词： 溶胶-凝胶法 铁电薄膜 2Bi₄Ti₅O₁₈')" href="#">Sr₂Bi₄Ti₅O₁₈     

LaNi5晶体表面态的计算研究

用“团簇埋入自洽计算法”对LaNi₅晶体表面进行了全电子、全势场、自旋极化的从头计算. 在原子纵向坐标充分弛豫的条件下，得到处于最低基态总能量下LaNi₅晶体的非平整表面空间结构及其电子结构. LaNi₅晶体最表面La原子向外凸出，Ni原子向里收缩，凹凸不平的表面层增加了表面原子与氢原子的接触面积；而表面层的有效体积增大了约9%，有利于氢原子的进入. LaNi₅晶体表面态的费米能量大大高于体材料的费米能量. 在费密面上主要是Ni的3d电子，价带未填满，显示金属性. LaNi₅晶体表面第一、第二层有1.15个电子从La原子向Ni原子转移，这两层有反向的微小自旋磁矩，从而使表面显示顺磁性. 得到了LaNi₅晶体表面的价带电子态密度. 用过渡态方法计算了LaNi₅晶体表面的电离能和电子亲和势. 所有计算结果显示：LaNi₅晶体表面的性质与体性质显著不同，而与氢化物LaNi₅H₇的性质非常相近. 这说明LaNi₅晶体的表面结构有利于氢原子的吸收. 关键词： 5')" href="#">LaNi₅ 表面 电子结构 团簇埋入自洽计算法     

Mo掺杂SrBi4Ti4O15陶瓷的铁电介电性能

用传统的固相烧结工艺，制备了钼掺杂铁电陶瓷样品SrBi₄Ti₄O₁₅(SBTi)铁电陶瓷SrBi_4-2x/3Ti_4-xMo_xO₁₅(x=0.00，0.003，0.012，0.03，0.06，0.09).X射线衍射的结果表明，样品均为单一的层状钙钛矿结构相，Mo掺杂未改变SBTi的晶体结构.通过扫描电子显微镜观测发现，样品晶粒为片状，随掺杂量的增加，晶粒逐 关键词： 4Ti₄O₁₅')" href="#">SrBi₄Ti₄O₁₅ Mo掺杂 剩余极化 居里温度     

Synthesis and properties of Au-Fe3O4 and Ag-Fe3O4 heterodimeric nanoparticles

Monodisperse Au-Fe 3 O 4 heterodimeric nanoparticles (NPs) were prepared by injecting precursors into a hot reaction solution.The size of Au and Fe 3 O 4 particles can be controlled by changing the injection temperature.UV-Vis spectra show that the surface plasma resonance band of Au-Fe 3 O 4 heterodimeric NPs was evidently red-shifted compared with the resonance band of Au NPs of similar size.The as-prepared heterodimeric Au-Fe 3 O 4 NPs exhibited superparamagnetic properties at room temperature.The Ag-Fe 3 O 4 heterodimeric NPs were also prepared by this synthetic method simply using AgNO 3 as precursor instead of HAuCl 4.It is indicated that the reported method can be readily extended to the synthesis of other noble metal conjugated heterodimeric NPs.     

Transport properties and defect analysis of La1.9Sr0.1NiO4 + δ

The oxygen flux through La_1.9Sr_0.1NiO_4 + δ has been measured as a function of oxygen activity gradient and temperature (750–1000 °C). The oxygen nonstoichiometry was determined by thermogravimetry in the temperature range of 400–1000 °C and oxygen partial pressures of 0.0002–1 atm. The total conductivity was measured over a similar range of conditions. The oxide ion partial conductivity derived from the oxygen flux data is approximately 4 orders of magnitude lower than the total, mainly p-type electronic conductivity. The defect structure was derived based on the data. Combining the oxygen flux and oxygen nonstoichiometry, the self diffusion coefficient of oxygen interstitials was evaluated.     

First-principles calculations of elasticity and thermodynamic properties of LaNi5 crystal under pressure

This paper investigates the equilibrium lattice parameters, heat capacity, thermal expansion coefficient, bulk modulus and its pressure derivative of LaNi 5 crystal by using the first-principles plane-wave pseudopotential method in the GGA-PBE generalized gradient approximation as well as the quasi-harmonic Debye model. The dependences of bulk modulus on temperature and on pressure are investigated. For the first time it analyses the relationships between bulk modulus B and temperature T up to 1000 K, the relationship between bulk modulus B and pressure at different temperatures are worked out. The pressure dependences of heat capacity C v and thermal expansion α at various temperatures are also analysed. Finally, the Debye temperatures of LaNi 5 at different pressures are successfully obtained. The calculated results are in excellent agreement with the experimental data.     

Picosecond stimulated Raman scattering of BaWO4 crystal

In single-pass configuration, a picosecond pulse laser was used to investigate the stimulated Raman scattering in different BaWO₄ crystals. Using the thresholds for the first Stokes line along the a- and c-axis, the Raman gain coefficients of the BaWO₄ crystals were calculated along their respective direction. The higher Stokes (fourth) and anti-Stokes (third) lines were observed. Compared with other well-known Raman crystals, such as KGd(WO₄)₂ and Ba(NO₃)₂, BaWO₄ has favorable properties for scattering the pump radiation with picosecond pulse duration. The Raman gain coefficients of BaWO₄ are different, but do not vary for different transmission directions, which means that this Raman material can be selected more freely.     

β-Si3N4电子结构和光学性质的第一性原理研究

采用基于密度泛函的平面波赝势方法(PWP)和广义梯度近似(GGA)，计算了β相氮化硅(β-Si₃N₄)的电子结构和光学性质，得到的晶格常数、能带结构等均与实验结果较好符合.进一步还研究了β-Si₃N₄的光吸收系数以及禁带宽度随外压力的变化规律，为β-Si₃N₄材料在高压条件下的应用提供了理论参考. 关键词： β相氮化硅 电子结构 能带结构 光学性质     

Lateral-field-excitation properties of LiNbO3 single crystal

LiNbO 3 has been found attractive for lateral field excitation (LFE) applications due to its high piezoelectric coupling. In this paper, bulk acoustic wave propagation properties for LiNbO 3 single crystal excited by a lateral electric field have been investigated using the extended Christoffel-Bechmann method. It is found that the LFE piezoelectric coupling factor for c mode reaches its maximum value of 95.46% when ψ = 0 for both (yxl)-58 and (yxwl)±60 /58 LiNbO 3 . The acoustic wave phase velocity of c mode TSM (thickness shear mode) changes from 3456 m/s to 3983 m/s as a function of ψ. Here ψ represents the angle between the lateral electric field and the crystallographic X-axis in the substrate major surface. A 5 MHz LFE device of (yxl)-58 LiNbO 3 with ψ = 0 was designed and tested in air. A major resonance peak was observed with the motional resistance as low as 17 and the Q-factor value up to 10353. The test result is well in agreement with the theoretical analysis, and suggests that the LFE LiNbO 3 device can be a good platform for high performance resonator or sensor applications.     

Crystallization of Ge2Sb2Te5 phase—change optical disk media

In this paper, the crystallization behaviour of amorphous Ge₂Sb₂Te₅ thin films is investigated using differential scanning calorimetry), x-ray diffraction and optical transmissivity measurements. It is indicated that only the amorphous phase to face-centred-cubic phase transformation occurs during laser annealing of the normal phase-change structure, which is a benefit for raising the phase-change optical disk's carrier-to-noise ratio (CNR). For amorphous Ge₂Sb₂Te₅ thin films, the crystallization temperature is about 200℃ and the melting temperature is 546.87℃. The activation energy for the crystallization, E_a, is 2.25eV. The crystallization dynamics for Ge₂Sb₂Te₅ thin films obeys the law of nucleation and growth reaction. The sputtered Ge₂Sb₂Te₅ films were initialized by an initializer unit. The initialization conditions have a great effect on the reflectivity contrast of the Ge₂Sb₂Te₅ phase-change optical disk.     

La掺杂SrBi4Ti4O15铁电材料性能研究

按x=0.00，0.10，0.25，0.50，0.75和1.00，采用固相烧结工艺，制备了不同La掺杂量的SrBi_4-xLa_xTi₄O₁₅的陶瓷样品. 用x射线衍射对其微结构进行了分析，并测量了铁电、介电性能.结果发现，La掺杂未改变SrBi₄Ti ₄O₁₅的晶体结构.随掺杂量的增加，样品的矫顽场(E_c)下降，剩余极化(2P_{关键词： 4-x}La_xTi₄O₁₅')" href="#">SrBi_4-xLa_xTi₄O₁₅ La掺杂 铁电性能 相变温度 弛豫铁电