Effects of passivation treatment on the surface stability in indium-doped Hg0.8Cd0.2Te epilayers grown on p-Cd0.96Zn0.04Te substrates

Passivation treatment on indium-doped Hg_0.8Cd_0.2Te epitaxial layers grown on p-Cd_0.96Zn_0.04Te substrates by molecular beam epitaxy has been performed in order to improve the surface stability of the Hg_0.8Cd_0.2Te layers. Room-temperature capacitance–voltage measurements clearly revealed metal-insulator–semiconductor (MIS) behavior for the Al/ZnS/passivated Hg_0.8Cd_0.2Te layer/Cd_0.96Zn_0.04Te diodes. The fast state density and the fixed charge density of the Al/ZnS/passivated Hg_0.8Cd_0.2Te/Cd_0.96Zn_0.04Te diode with a sulfur-treated Hg_0.8Cd_0.2Te layer were smaller than those with a chemically oxidized Hg_0.8Cd_0.2Te layer. The interface state density at the ZnS/sulfur-treated Hg_0.8Cd_0.2Te interface were low at 10¹¹ eV⁻¹ cm⁻² at the middle of the Hg_0.8Cd_0.2Te energy gap. These results indicate that the Hg_0.8Cd_0.2Te epilayer is significantly passivated by sulfur treatment and that the passivated Hg_0.8Cd_0.2Te layers can be used for Hg_1−xCd_xTe-based MIS diodes and MIS field-effect transistors.     

Heusler合金Fe2CrGa的磁性与结构

采用KKR-CPA-LDA方法研究了不同混乱占位时Fe₂CrGa合金基态的电子结构和磁结构. 基态能量表明Fe₂CrGa合金更倾向于形成Hg₂CuTi型有序结构,而不是L2₁结构. 能态密度(DOS)分析进一步揭示受晶体场影响的磁性原子内部交换作用是使Fe₂CrGa合金形成 Hg₂CuTi型有序结构的主要原因.测量了不同热处理所得Fe₂CrGa合金的居里温度和分子磁矩, 发现原子占位有序化可以在137K温度范围内调控合金的居里温度.分子磁矩随有序化占位也有相应变化, 分布在2.28μ_B/f.u.—2.48μ_B/f.u.之间.理论计算和实验对比可证明Fe₂CrGa合金是Hg₂CuTi型Heusler合金.     

Rigorous reflectance performance analysis of Si3N4 self-suspended subwavelength gratings

In this paper, we make an investigation into the reflectance performance of the Si₃N₄ self-suspended subwavelength grating (SSG) via changing several parameters including the incident wavelength, the grating period, the grating thickness and the grating filling ratio. For TM polarization of incidence, numerical results by the rigorous coupled-wave method reveal that the reflectance spectrum of the Si₃N₄ SSG has a narrow linewidth (less than 1 nm), high peak reflectance (100%), and low side bands (less than 0.5%) simultaneously in the optical telecommunication wavelength region. By using a micro-electromechanical-systems actuator, it is believed that the Si₃N₄ SSG should serve as tunable optical filters in optical telecommunication systems.     

Ultraviolet to far infrared optical properties of the one-dimensional conductor K2Pt(CN)4Br0·3. 3H2O

An experimental study of the optical properties of single crystals of the quasi-one-dimensional conductor K₂Pt(CN)₄Br_0·3, 3H₂O in the spectral range from 45,000 to 10 cm^?1 is presented.For light polarized perpendicular to the highly conducting direction the material behaves as a transparent dielectric, as evidenced by reflection and transmission spectra. The reflection spectrum measured with polarization parallel to the chain direction (E∥Z) shows, in addition to the previously reported ‘metal-like’ optical reflectance and plasma edge in the visible, deviations from free carrier type reflectance in the i.r. This was expected because the conductivity is thermally activated at low temperatures. The optical constants for E∥Z polarization have been determined by Kramers-Kronig analysis of the reflection spectrum and, at a few discrete wavelengths, from measurements of polarized reflectance under oblique incidence. The results are qualitatively consistent with various models of the electronic structure but do not distinguish between them.     

MOCVD外延Hg1-xCdxTe/Cd1-yZnyTe薄膜的光致发光

利用Raman显微镜系统对两块用MOCVD方法在Cd_0.96Zn_0.04Te衬底上生长的Hg_0.8Cd_0.2Te外延薄膜样品在光谱范围50～5000cm^-1进行了测量,在其中的一块样品上首次发现了143eV至193eV范围内出现的具有周期结构的光致发光峰,该发光峰对应的能带中心位于Hg_0.8Cd_0.2Te外延层导带底上方173eV,在另外一块外延薄膜样品中仅观察到四个Raman散射峰,没有周期结构的发光峰。为了分析上述光致发光的起因,对两块样品进行了X射线的双晶回摆曲线样品结构分析,得出样品在143eV至193eV范围的光致发光峰是由于改进MOCVD生长工艺提高了样品的结构质量所致,通过分析指出该光致发光峰是来源于Hg_0.8Cd_0.2Te外延层中的阴性离子空位的共振能级。     

Synthesis and properties of Hg0.7Pb0.3(BaSr)2Ca2Cu3Oz superconductors

We have synthesized Hg(Pb)-1223 with substitutions of Sr for Ba, i.e. Hg_0.7Pb_0.3Ba_2−xSr_xCa₂Cu₃O_z (x = 0.0–2.0) by the ampoule method. The spray-drying method and thermal decomposition under vacuum were applied for the preparation of homogeneous precursors. Samples with T_c = 110–128 K were obtained without oxygen annealing. We found that substitution of Ba by Sr remarkably relaxed the requirements on the precursors preparation and allowed their handling under ambient conditions.     

不同取向角下CO2分子波长依赖的垂直谐波效率

通过数值计算, 研究了强激光场中CO₂ 分子在不同波长和取向角下产生的高次谐波辐射的效率. 发现CO₂ 分子的垂直谐波效率在较小的和中间的取向角时倾向于与平行谐波效率可比或更高, 而在较大的取向角时, 垂直谐波效率远低于平行谐波效率. 进一步的分析表明, CO₂ 分子的结构对其垂直谐波效率有重要的影响, 且该影响与波长有关. 建议对于较复杂的分子, 应该在分子的轨道成像实验中考虑垂直谐波的贡献.     

Neutron diffraction study of magnetic ordering in ErMn2Si2, ErMn2Ge2 and ErFe2Si2

Neutron diffraction study of polycrystalline compounds ErMn₂Si₂, ErMn₂Ge₂ and ErFe₂Si₂ was performed in the temperature range between 1.8 and 293 K. All compounds have tetragonal, ThCr₂Si₂-type crystal structure. The antiferromagnetic collinear structure of ErMn₂Si₂ and ErMn₂Ge₂ at both RT and LNT, consists of a sequence + - + - of ferromagnetic layers of Mn atoms. The magnetic moment of an Mn atom (≈2μ_B) is parallel to the c-axist. At low temperatures (LHT and lower), the ferromagnetic ordering within the Er sublattice is observed. The magnetic moment (μ_Er ≈ 9μ_B) is perpendicular to the c-axis. From the temperature dependence of the intensities of the magnetic peaks, the following values for the Curie temperatures were obtained: (10±5) K for ErMn₂Si₂ and (8.5±3) K for ErMn₂Ge₂. For ErFe₂Si₂ a collinear antiferromagnetic structure of the + - - + type was found, the magnetic unit cell consisting of the chemical one, doubled along the c-axis.     

纳米纤维状Sr3Al2O5Cl2:Eu2+,Tm3+的白色长余辉性能

采用高温固相法在800℃下制备出系列白色长余辉荧光粉Sr₃Al₂O₅Cl₂：Eu²⁺,Tm³⁺,并研究了它们的结构、形貌及发光性能。样品Sr_2.91Al₂O₅Cl₂：0.04Eu²⁺,0.05 Tm³⁺具有单一晶相和纳米纤维结构。该样品在紫外光激发下表现出两个很强的宽带发射（分别位于~448 nm和~590 nm）。它的余辉寿命大约是20 min。利用此种荧光粉所制作出的白光LED器件表现出很强的白光发射。     

Mechanism of characteristic shape of resistive transition in Bi2Sr2CaCu2O8 films made by laser evaporation

We measured the temperature dependence of resistivity, (T, H), of Bi₂Sr₂CaCu₂O₈ thin films in magnetic fields. These films have a preferential orientation of the c-axis perpendicular to a surface of the substrate. We could not observe any meaningful anisotropy of the characteristic shape of the resistive transition between two cases of the current flow parallel and perpendicular to the magnetic field in the basal plane. Therefore, it is very difficult to ascribe the broadness to any origin due to the Lorentz force produced by an external current.     

碱金属Li,Na,K,Rb,Cs,Fr的ns2S1/2,np2P1/2,3/2, nd2D3/2,5/2 和nf2F5/2,7/2 里德伯能级理论研究

本文在多通道量子数亏损理论(MQDT)框架下,利用相对论多通道理论(RMCT),分别在冻结实近似、 考虑Δl=-1的偶极极化效应、Δl=+1的偶极极化效应、Δl=± 1的偶极极化效应、伸缩模效应以及同时考虑偶极极化效应和伸缩模效应等不同层次近似下,系统地计算了碱金属Li, Na, K, Rb, Cs和Fr七个里德伯系列的能级,即ns²S_1/2, np²P_1/2, np²P_3/2, nd²D_3/2, nd²D_5/2, nf²F_5/2 和nf²F_7/2.计算结果表明,电子关联效应对碱金属原子的里德伯能级的影响很大.总的来说,偶极极化效应比伸缩模效应重要,而在偶极极化效应中, Δl = + 1的偶极极化效应比Δl = - 1的偶极极化效应重要.但对于Na的ns²S_1/2,(nd²D_3/2,nd²D_5/2)里德伯系列的能级,和Li的(np²P_1/2,np²P_3/2)里德伯系列的能级,是伸缩模效应比较重要.     

Doping effects in the Sr14Cu24O41-type structure: a Raman scattering study

Polarized micro-Raman spectra of different compounds belonging to the Sr₁₄Cu₂₄O₄₁-type structure were studied. In the spectra with parallel polarization along the plane crystal axes of the insulating samples Sr₉R₅Cu₂₄O₄₁ (R = La, Y) a broad peak near 3000 cm⁻¹, similar to the well-known two-magnon peak in the layered cuprates, was observed. In addition to the Raman lines characteristic for this structure, we observed only in the spectra with parallel to the chains numerous lines between 100 and 1200 cm⁻¹, probably originating from Raman-forbidden infrared-active only LO phonons and their combinations. In the spectra of the conducting compounds Sr_14−xCa_xCu₂₄O₄₁ (x = 0,7) these features were very weak or disappeared. We interpret these results as Raman evidence for hole doping of the Cu₂O₃ “spin-ladder” planes and for a redistribution of holes between chains and planes through Ca substitution in the case of the rare-earth-free samples.     

不同核轴取向的O2的高次谐波

分子的高次谐波是强场超快物理的重要研究课题. 采用建立在形式散射理论基础上的频域方法计算了O₂在线偏振激光场下的高次谐波, 探讨了核轴被准直在与激光传输方向垂直的平面内时, 高次谐波随核轴与光电场偏振方向所成夹角θ₀的依赖关系. 结果表明: 各次谐波都是在θ₀约为45°时强度最大, 并有较宽的峰值宽度; 当偏离此角度, 高次谐波的强度变小; 到达平行或垂直取向时, 降到最低. 分析表明, 这是由于高次谐波的强度取决于分子基态的电子在动量空间中的电场方向的布居. 针对核轴被准直在激光传输方向与电场偏振方向所确定的平面内的情况, 计算了高次谐波随θ₀的依赖关系, 结果与前一种情况基本相同. 分析发现, 当核轴被准直固定后, 分子绕核轴旋转的角度ψ没有固定, 所以最后的高次谐波强度需要对不同的ψ 时的高次谐波的贡献求和平均. 平均后相当于波函数相对于核轴旋转对称, 从而导致O₂的高次谐波仅与θ₀有关, 而与核轴被准直在哪个面上无关.     

Normal-state resistivity of superconducting Bi1.95Sr1.65La0.4CuO6+δ single crystals

The anisotropy of the normal-state resistivity of a number of superconducting Bi_1.95Sr_1.65La_0.4CuO_6+δ single crystals has been measured by using both a six- and a four-terminal technique. We find that the ab-plane resistivity _ab in general increases almost linearly with temperature (d_ab/dT> 0). the temperature variation of the c-axis resistivity _c, however, is strongly sample dependent. Both metallic-like (d_c/dT> 0) and mixed temperature dependences of _c, including d_c/dT < 0 are observed. The mixed _c(T) data can be well described by fitting to _c(T) = A + BT + C/T, indicating that the temperature dependence of _c(T) is the result of a competition between metallic and non-metallic terms. The temperature T_min at which _c reaches a minimum increases with increasing d_ab/dT, suggesting that the metallic term of _c arises from misaligned Cu---O planes. This is confirmed by an electron-microscope (HRTEM) analysis of the samples. The anisotropy ratio _c/_ab is of the order of 10³ but increases monotonically with decreasing temperature, indicating differences in the scattering processes parallel and perpendicular to the Cu---O plane.     

第一性原理研究Mn和Cu掺杂六钛酸钾(K_2Ti_6O_(13))的电子结构和光学性质

六钛酸钾(K_2Ti_6O_(13))是宽带隙半导体光催化材料,只能响应波长较短的紫外光.为了使K_2Ti_6O_(13)对可见光响应,本文采用第一性原理方法,研究过渡金属Mn和Cu掺杂改性后K_2Ti_6O_(13)的电子结构和光学性质.计算结果表明:Mn,Cu掺杂后K_2Ti_6O_(13)禁带中出现了杂质能级,这些杂质能级由O 2p和Ti 3d与Mn 3d或Cu 3d态杂化而成.对于Mn掺杂的K_2Ti_6O_(13),其带隙值变小,位于能带中间的杂质能级可作为电子跃迁的桥梁,从而实现了对可见光的吸收.对于Cu掺杂的K_2Ti_6O_(13),其带隙值虽略有增大,但是若考虑将与价带相连的杂质能级,带隙值将大大减小,且此杂质能级可抑制光生载流子的复合,使得掺杂后K_2Ti_6O_(13)吸收带边红移至可见光区并在可见光范围内吸收强度明显增强.总的而言,Mn,Cu的掺杂实现了钛酸钾对可见光的吸收,同时Cu掺杂的效果要优于Mn掺杂的效果.研究结果对K_2Ti_6O_(13)在光催化领域上的应用具有重要的意义.     

SrBi4Ti4O15的化学键性质和铁电性研究

通过原子环境计算方法分析了正交相SrBi₄Ti₄O₁₅晶体内的键络结构、各原子的空间配位数及局域团簇结构. 在此基础上, 结合晶体分解理论将SrBi₄Ti₄O₁₅晶体分解为多个二元赝晶体, 根据化学键介电理论计算得到各赝晶体所对应化学键的有效价电子密度、离子性等化学键性质. 通过键偶极矩建立了铁电体自发极化强度与化学键性质之间的关系, 求得正交相SrBi₄Ti₄O₁₅沿a轴方向的自发极化强度为28.03 μC/cm², 与实验结果和其他理论计算值符合较好.     

垂直磁各向异性L10-Mn1.67Ga超薄膜分子束外延生长与磁性研究

具有超强垂直磁各向异性的L1₀-Mn_xGa薄膜由于其与半导体材料结构及工艺的高度兼容性而受到广泛关注, 其超高垂直磁各向异性能和极低的磁阻尼因子预示着L1₀-Mn_xGa薄膜在高热稳定性自旋电子学器件中将发挥重要作用. 而L1₀-Mn_xGa超薄膜对于降低L1₀-Mn_xGa基垂直磁各向异性隧道结中的磁矩翻转临界电流密度有着重要的意义. 本文采用分子束外延的方法, 在半导体GaAs衬底上成功制备出了一系列不同厚度的L1₀-Mn_1.67Ga薄膜, 厚度范围为1-5 nm. 生长过程中反射式高能电子衍射原位检测以及X射线衍射结果均表明了其良好的单晶相. 磁性测量结果表明, 厚度在1 nm以上的L1₀-Mn_1.67Ga薄膜均可以保持垂直磁各向异性特征, 厚度为5 nm的L1₀-Mn_1.67Ga薄膜的垂直磁各向异性能可达到14.7 Merg/cm³. 这些结果为基于L1₀-Mn_1.67Ga的垂直磁各向异性隧道结在自旋转移扭矩驱动的磁随机存储器等低功耗器件的集成及应用提供了重要的实验支持.     

CaTiO3基微波介质陶瓷的频率温度稳定性

通过对克劳修斯-莫索蒂方程的近似, 分析了钙钛矿结构微波介质陶瓷频率温度系数 (τ_f) 的主要影响因素, 发现改变材料介电响应中离子位移极化和电子位移极化的比例, 可调节频率温度系数的正负与大小. 通过电子结构计算和容忍因子分析, 预测引入(Zn_1/3Nb_2/3)⁴⁺对具有正温度系数 的CaTiO₃进行B位取代将提高材料电子极化响应比例, 调节τ_f由正变负. 采用偏铌酸盐为前驱体, 通过固相反应法合成了Ca[(Zn_1/3Nb_2/3)_xTi_(1-x)]O₃钙钛矿结构陶瓷, 并对其进行结构分析和性能测试, 实验结果与理论分析一致, 获得了具有近零频率温度系数的Ca[(Zn_1/3Nb_2/3)_0.7Ti_0.3]O₃介质陶瓷材料. 关键词： B位复合钙钛矿陶瓷 谐振频率温度稳定性 极化机理 6八面体倾斜')" href="#">BO₆八面体倾斜     

Specific heat and anisotropic superconducting and normal-state magnetization of HoNi2B2C

The magnetization of single-crystal HoNi₂B₂C has been measured as a function of applied field (H) and temperature in order to probe the interplay between superconductivity and magnetism in this complex layered system. The normal-state magnetic susceptibility of HoNi₂B₂C is highly anisotropic with a Curie-Weiss-like temperature dependence for H applied perpendicular to the c-axis and with a much weaker temperature dependence for H applied parallel to the c-axis, indicating that the Ho⁺³ magnetic moments lie predominately in the tetragonal a−b plane below 20 K. High-field magnetization (2000 Oe), low-field magnetization (20 Oe) and zero-field specific heat all give an antiferromagnetic ordering temperature of T_N=5.0 K. Remarkably, in 20 Oe applied field both superconductivity (T_c=8.0 K) and antiferromagnetism (T_N=5.0 K) clearly make themselves manifest in the magnetization data. From these magnetization data a phase diagram in the H−T plane was constructed for both directions of applied field. This phase diagram shows a non-monotonic temperature dependence of H_c2 with a deep minimum at T_N=5 K. The high-field magnetization data for H applied perpendicular to the c-axis also reveal a cascade of three phase transitions for T < 5 K and H < 15 000 Oe, contributing to the rich H versus T phase diagram for HoNi₂B₂C at low temperatures.     

异常双钙钛矿A_2BB′O_6氧化物的多铁性

异常钙钛矿结构氧化物是多铁性材料家族中研究得最为广泛的体系之一.本文从ABO_3钙钛矿结构出发,引入了异常A_2BB′O_6双钙钛矿材料,首先简要介绍了传统及异常A_2BB′O_6双钙钛矿氧化物的结构特点;然后讨论了A_2BB′O_6多铁性材料的研究进展,包括A位为Mn,Ni等过渡金属离子的极性磁体多铁性材料和A_2CoMnO_6(A=Lu,Y,Yb,Lu)以及Mn_2FeSbO_6等第II类多铁性材料;最后,在以上基础上展望了异常A_2BB′O_6双钙钛矿多铁性研究中存在的问题及新型多铁性材料研究的方向.