Zn0.83Mn0.17Se和ZnSe/Zn0.84Mn0.16Se超晶格材料中Mn2+的压力光谱研究

 采用压力光谱技术在低温下观测到了Mn²⁺离子的⁴T₁→⁶A₁跃迁,该谱线在Zn_0.83Mn_0.17Se和ZnSe/Zn_0.84Mn_0.16Se超晶格样品中有不同的压力行为,体材料中其压力系数为-42.4 peV/Pa,超晶格中为-29.5 peV/Pa。用晶体场理论计算得到体材料Zn_0.83Mn_0.17Se中Mn²⁺离子⁴T₁→⁶A₁谱线的压力系数为-38.3 peV/Pa,与实验结果基本一致。结合材料中发光峰积分强度随压力的变化关系进行分析,证实Mn²⁺离子的发光性质主要与其近邻的晶体场环境有关。     

自旋巨共振和核实极化效应

对于自旋巨偶极共振,本文考虑了核场（Y₀δ₁）_1v和γ²（Y₂δ₁）_1v之间的耦合项的影响,这种耦合形式可以从张量算符给出.对于λ≥2的自旋巨共振,本文考虑了核场γ^λ+1(Y_λ+1δ₁)_λv的影响.     

FeSiF66H2O晶体的基态能级和零场分裂参量

由单晶的中子衍射方法得到FeS_iF₆6H₂O的晶体结构,这种晶体结构可以用S_iF^6-和Fe(H₂O)⁺⁺两个离子来描述,而局域三角对称的Fe(H₂O)⁺⁺离子反映了这种晶体的主要光谱性质利用不可约张量的理论,构成了晶体场和自旋轨道相互作用哈密顿完全对角化矩阵因此,由完全对角化的晶体场和自旋轨道相互作用哈密顿矩阵和电子顺磁共振的理论公式来求出晶体FeS_iF₆6H₂O中Fe²⁺离子的电子顺磁共振零场分裂参量D和Fa并研究了低自旋³L态对电子顺磁共振(EPR)零场分裂参量的贡献结果显示低自旋³L态对电子顺磁共振的零场分裂参量的贡献是较强的理论计算的结果与实验值是相符的.     

高压下Gd3Ga5O12晶体的弹性性能

 利用超声“脉冲回波重合法”技术,测定了立方晶体镱镓石榴石（GGG）各对称方向的超声波声速,及它们在流体静压力和单轴应力条件下,随压力的变化,计算了GGG的二阶和三阶弹性常数。它们分别是：c₁₁=3.04,c₁₂=1.31,c₄₄=0.94和c₁₁₁=-17.97,c₁₁₂=-12.86,c₁₂₃=-1.06,c₁₄₄=-2.11,c₁₆₆=-3.29,c₄₅₆=-0.94,单位是10¹¹ N/m²。根据这些数据,我们还计算了GGG晶体的德拜温度以及沿它的[001]→[111]→[110]→[100]传播的三个声学波分支（一个纵波,两个横波）的Gruneisen参数γ(p,N)的分布。     

Nd∶KY(WO4)2和Nd∶KG(WO4)2晶体吸收光谱性能分析

通过研究分析钨酸盐晶体Nd∶KY(WO₄)₂和Nd∶KG(WO₄)₂在室温下的吸收光谱，发现这2种晶体具有作为激光晶体的优良特性。根据Judd-Ofelt理论和测试所得的吸收光谱及数据，用VC++编程计算出晶体的谱线强度、振子强度、吸收截面等，拟合得Nd³⁺离子的3个晶场调节参数Ω_λ(λ=2，4，6)的值，并从理论上计算了自发跃迁几率、能级寿命、荧光分支比和积分发射截面。从计算得出的荧光分支比β可以看出，Nd∶KY(WO₄)₂(β_1060nm=0.4380)和Nd∶KG(WO₄)₂(β_1060nm=0.4618)晶体荧光分支比都较大，计算了该晶体的X=Ω₄/Ω₆，并将其X值与其他晶体的X值加以比较，Nd∶KY(WO₄)₂和Nd∶KG(WO₄)₂均易于实现1.06μm激光输出，适合作为LD泵浦的钨酸盐晶体激光器。     

KH2PO4和(CH3NHCH2COOH)CaCl2在高压下的状态方程与相变

 在活塞圆筒式p-V关系测量装置上，研究了KH₂PO₄（KDP）和(CH₃NHCH₂COOH)CaCl₂［Tris-sarcosine calcium chloride（TSCC）］在室温下、4.5 GPa内的p-V关系。实验结果表明：KDP在2.1 GPa左右有一个相变；TSCC在0.8 GPa和3.2 GPa左右各有一个相变。本工作还给出了它们在相变前后的状态方程，以及它们的格临爱森参数γ₀、体积模量B₀和B₀的压力导数B₀'。     

偏硼酸钡低温相晶体在高压下的电学性质与相变

 在金刚石压砧装置上，采用电容和电阻测量方法研究了偏硼酸钡低温相晶体（β-BaB₂O₄）在室温下和16 GPa内的电容、电阻与压力的关系。实验结果表明，它的电容在2.1、4.6、6.4、8、9.5、10.7 GPa左右都有一个突变。这说明β-BaB₂O₄内部的结构状态在这些压力下都发生了变化，可能发生了相变。还发现β-BaB₂O₄样品在较高压力下已发生了非晶化转变，而且是不可逆的，在卸压后被保留下来。这个非晶化转变的压力大约在11~12 GPa。     

LD抽运的折叠腔Nd∶YVO4/KTP倍频红光激光器

对LD端面抽运的Nd∶YVO₄/KTP腔内倍频激光器的三镜折叠腔结构进行优化设计,研究了总腔长、输入镜曲率半径和Nd∶YVO₄和KTP晶体的热效应对激光谐振腔的稳定区域、Nd∶YVO₄晶体内基模光束半径的影响。实验结果表明:该方法所得出的结论与理论相吻合。在实验中比较了折叠腔不同折叠角度的红光输出功率,并获得了最佳折叠角度为25°,其有效倍频效率为10.8%。最后使用基频光的偏振特性与KTP的相位匹配之间的关系对实验结果进行理论解释。     

重核粘滞系数的微观计算

本文叙述了在线性响应理论的基础上,利用推广的尼尔逊模型,对²³⁶U核从基态到鞍点态的粘滞系数进行的实际计算。观察了粘滞张量各分量γ_δ2δ2,γ_δ4δ4,γ_δ3δ3,γ_δ2δ3,γ_δ2δ4,γ_δ3δ4在各种核温度T和能级宽度Γ下对核的集体形变坐标δ₂,δ₃,δ₄的依赖关系。提供了可以计算重核粘滞亲数的一种方法。     

BaCuO2.5在高压下的状态方程与电学性质

 在活塞-圆筒式高压装置上研究了BaCuO_2.5在4.5 GPa内的p-V关系,给出了其状态方程、Grüneisen参数γ₀、零压体弹模量B₀以及B₀的压力导数B′₀。并在金刚石压砧装置（DAC）上测量了样品的电阻、电容随压力变化的关系,结果表明在0~20 GPa内没有发生相变。     

Polarized Micro-Raman Study of the Temperature-Induced Phase Transition In 0.67 Pb（Mg1/3Nb2/3）O3-0.33PbTiO3

Polarized Raman spectra of ferroelectric relaxor 0.67Pb（Mg1/3Nb2/3）O3-0.33PbTiO3 （0.67PMN-0.33PT） single crystal are systematically investigated in a wide temperature range from -196 to 600℃ by micro-Raman scattering technique. The results clearly reveal that there are two structural phase transitions in such composite ferroelectric relaxor： the rhombohedral-tetragonal （R- T） phase transition and the tetragonal-cubic （T- C） phase transition. The former occurs at about TR-T =34℃, corresponding to the vanishing of the soft A1 mode at 106cm^-1 recorded in the parallel polarization. The latter appears at about TT-C = 144℃, which can be verified with the vanishing of mode at 780cm^-1 measured in the crossed polarization.     

NO--CO--O2 Reaction on a Metal Catalytic Surface using Eley--Rideal Mechanism

Interactions among the reacting species NO, CO and O2 on metal catalytic surfaces are studied by means of Monte Carlo simulation using the Eley-Rideal （ER） mechanism. The study of this three-component system is important for understanding of the reaction kinetics by varying the relative ratios of the reactants. It is found that contrary to the conventional Langmuir-Hinshelwood （LFI） thermal mechanism in which two irreversible phase transitions are obtained between active states and poisoned states, a single phase transition is observed when the ER mechanism is combined with the LH mechanism. The phase diagrams of the surface coverage and the steady state production of CO2, N2 and N2O are evaluated as a function of the partial pressures of the reactants in the gas phase. The continuous production of CO2 starts as soon as the CO pressure is switched on and the second order phase transition at the first critical point is eliminated, which is in agreement with the experimental findings.     

Calculation of Particle-Number Susceptibility of QED3 at Finite Temperature

Based on the external field approach and the differential form of Ward identity, we derive a more compact formula for the particle-number susceptibility in QED3 at finite temperature. Using the zero frequency approximation the numerical value of the particle-number susceptibility is calculated in the Dyson-Schwinger approach for the case that the number of fermion flavours equals one and two, respectively. An enhanced fluctuation of the particlenumber density is observed across the transition temperature, which should be an essential characteristic of chiral phase transition in QED3.     

Systematic Analysis of E(5) Critical-Point Nuclei in A～130 Region with Relativistic Mean Field Theory

The shape phase transition between spherical U(5) and γ-unstable O(6) nuclei is investigated systemically for the nuclei in the A～130 region by the constrained relativistic mean field theory. By examining potential energy surfaces and neutron Fermi energies, we suggest that ¹³⁶Ba and ^132,134Xe are possible nuclei with E(5) symmetry, which is favored by the observed ratio R_4/2=(E+41－E+01)/(E+21－E+01). While the RMF predicted E(5) symmetry or ^128,130,132Te cannot be supported by the observed ratio R_4/2. Whether these nuclei are critical-point nuclei should further be examined in experiments.     

埃洛石的Birch-Murnaghan状态方程和高压物性

 用欧拉有限应变理论分析了埃洛石的冲击Hugoniot实验数据,得到了其低压相和高压相的等熵体积模量K_0S及其对压力的一阶导数K′_0S。对低压相,在γ＝0.43(ρ₀/ρ)时,K_0S＝32.16 GPa,K′_0S＝7.17;对高压相,在γ＝1.0(ρ₀/ρ)^1.5、且相变能各取579.1 J/g（常压下的值）和1 000 J/g时,K_0S、K′_0S分别为103.28 GPa 、4.97和95.85 GPa、5.35。根据高压下物性参数的跃变,讨论并分析了其各个相区物质组成的差异。     

Autler-Townes Splitting in Photoelectron Spectrum of Three-Level Li2 Molecule in Ultrashort Pulse Laser Fields

The Autler-Townes （AT） splitting in femtosecond photoelectron spectrum of three-level Li2 molecules is theoretically investigated using time-dependent quantum wave packet method. With proper femtosecond laser pulses, three peaks of the AT splitting can be observed in the photoelectron spectrum. The AT splitting stems from rapid Rabi oscillation caused by intense ultrashort laser pluses. The effects of laser parameters on the molecular ionization dynamics are also discussed.     

First-Principles Prediction of High-Pressure Phase of CaC6

The lattice dynamics of rhombohedral GaG6 is studied as a function orpressure to probe Its high pressure phase with low superconducting transition temperature using the density functional liner-response theory. The pressureinduced phase transition in CaC6 is attributable to the softening transverse acoustic （TA） phonon mode at the zone boundary X （0.5, 0.0, 0.5） point. The high pressure phase is then explored by performing fully structural optimization in the supercell which accommodates the atomic displacements corresponding to the eigenvectors of the unstable mode of TA（X）. The high-pressure phase is predicted to be a monoclinic unit cell with space group P21/m.     

Soft modes and phonon interactions in studied by neutron scattering

The low frequency lattice dynamics and its relationship to the second order paraelectric-to-ferroelectric transition in Sn₂P₂S₆ is studied. The dispersion branches of the acoustic and lowest lying optical phonons in the a^*-c^* plane have been obtained in the ferroelectric phase, for x-polarized phonons. Close to the phase transition a considerable softening is found for the lowest optical mode (P_x), comparable to the behaviour observed in previous Raman investigations. As found previously in Sn₂P₂Se₆, a strong coupling between the TO(P_x) and TA(u_xz) phonons is observed, although, apparently, not strong enough to lead to an incommensurate phase. The soft TO(P_x) mode at the zone center is observed. The temperature dependence of its frequency and damping shows that the transition is not entirely displacive. At low temperatures an unusual apparent negative LO-TO splitting is observed which is shown to arise from the coupling of the x-polarized soft mode to the nearby z-polarized optical phonon. For comparison, the soft TO(P_x) dispersion in the a^*-b^* plane is measured in both the paraelectric and ferroelectric phases. Consistent frequency changes and LO-TO splitting are observed, revealing a significant interaction between the TA(u_yx) and LA(u_xx) acoustics branches and the TO and LO soft optic branches, respectively. In contrast, the nearby y-polarized optic branch shows almost no temperature dependence. Finally, the influence of piezoelectric effects on the limiting acoustic slopes in the ferroelectric phase is discussed. Received: 11 May 1998 / Revised and Accepted: 15 June 1998     

Anisotropic Spin Splitting in Step Quantum Wells

By the method of finite difference, the anisotropic spin splitting of the AlxGa1-xAs/GaAs/Aly Ga1-yAs/AlxGal-xAs step quantum wells （QWs） are theoretically investigated considering the interplay of the bulk inversion asymmetry and structure inversion asymmetry induced by step quantum well structure and external electric field. We demonstrate that the anisotropy of the total spin splitting can be controlled by the shape of the QWs and the external electric field. The interface related Rashba effect plays an important effect on the anisotropic spin splitting by influencing the magnitude of the spin splitting and the direction of electron spin. The Rashba spin splitting presents in the step quantum wells due to the interface related Rashba effect even without external electric field or magnetic field.