A(B_(0.5)~1B_(0.5)~2)O_3系统中三种有序态的稳定性初探

在A(B_(0.5)~1B_(0.5)~2)O_3钙钛矿型铁电陶瓷材料中,除了在较高温度下都能有稳定的<111>型超格子有序结构外,在室温和-150℃情况下,还分别观察到1/2<110>和1/2<100>型超格子有序结构,本文引入长程相互作用,并利用8点集团变分模型,在不同温度范围内分析了前面三种有序态的稳定性,所得结论与实验结果一致。     

钙钛矿型晶体A(B1/31B2/32)O3中的有序-无序相变

本文利用原子集团变分方法,讨论了A⁺²(B_1/3⁺²B_2/3⁺⁵)O₃系统中有序-无序相变,指出在此系统中相互作用能参数对形成(B_2/3⁺²B_1/3⁺⁵)_1/2:B_1/2⁺⁵=1:1的混合型有序畴和B_{1/3关键词：}     

LiF晶体F3+色心的实验研究

本文从实验上系统地研究了在不同条件下电子束辐照LiF晶体所形成的F₃⁺色心的光学特点。并且由荧光光谱分析了F₃⁺心和F₂心,的相对密度关系。实验表明,辐照温度对于色心的形成和密度的相对大小起着关键的作用。主要实验结果包括:1)在液氮温度下辐照,然后在暗处加热至室温可形成高密度的F₃⁺心,表现在发射光谱中F₃⁺心荧光占绝对优势。吸收光谱表明没有N心和R心。2)由动力学荧光谱可以看到低温辐照的样品在F₂⁺心衰变的同时,F₃⁺心密度迅速增加。而室温辐照的样品则是F₂心,与F₃⁺心的密度以近似相等的速率增加。3)详细观察了F₃⁺心530nm荧光激发带与F₂心670nm荧光激发带半宽度的变化和双峰结构。由此对M吸收区的发光特点作了解释。 关键词：     

Si在水汽中氧化传质机制的H218O/H216O同位素示踪研究

采用同位素H₂¹⁶O/H₂¹⁸O接续氧化同位素示踪方法,研究了单晶硅在1100 ℃水汽中氧化的微观传质机制.在H₂¹⁶O,H₂¹⁸O分别氧化和H₂¹⁶O/H₂¹⁸O接续氧化处理后,研究氧化产物形态和结构.并用二次离子质谱仪(SIMS)研究了同位素 关键词： 同位素示踪 2¹⁸O')" href="#">H₂¹⁸O 替位扩散 硅     

相互作用能量参数对A(B1/21B1/22)O3系统有序畴形成的影响

本文利用有序-无序相变理论讨论了A(B_1/2¹B_1/2²)O₃系统中的有序-无序相变,半定量地研究了在A(B_1/2¹B_1/2²)O₃系统中相互作用能参数对形成B¹:B²=1:1有序畴的影响,理论计算结果与实验结果基本一致。 关键词：     

H1+,H2+,H3+和He,Ne,Ar碰撞过程中的巴耳末系Hα,Hβ,Hγ发射

实验利用TN-1710光学多道分析系统(OMA),对H₁⁺,H₂⁺,H₃⁺和He,Ne,Ar碰撞过程中产生的巴耳末系H_α,H_β,H_γ发射进行了测量,入射离子H₁⁺,H₂⁺,H₃⁺的 关键词：     

低温下电子束辐照产生F2+心及其荧光发射

用自制的低温装置保持LiF晶体的温度为77K,同时用电子束辐照,产生了浓度高达10¹⁷cm^-3的F₂⁺心。并对F₂⁺心荧光发射特性进行了实验观测和理论分析。 关键词：     

荧光粉CaWO4：Eu3+中WO42-与Eu3+间的能量转递

通过高温固相法分别制备了CaWO₄和CaWO₄:1%Eu³⁺ 样品. 测量了样品不同温度(10–300 K)的荧光光谱、荧光衰减曲线和 时间分辨荧光光谱. 样品的荧光光谱表明: 在240 nm紫外光激发下, 两个样品在430 nm处都展现出来源于WO₄^2-的蓝色发射; 样品CaWO₄:Eu³⁺的Eu³⁺(⁵D₀→⁷F_{1, 2, 3,4})的特征发射则归属于WO₄^2-到Eu³⁺ 间的能量传递.由样品室温(300K)荧光衰减曲线发现: 纯CaWO₄的荧光寿命为8.85μs,Eu³⁺掺杂之后WO₄^2-的荧光寿命缩短至6.27μs,这从另一方面证明了WO₄^2-与Eu³⁺间能量传递的存在. 由荧光寿命得到T=300K时, CaWO₄: 1%Eu³⁺中WO₄^2-与Eu³⁺间的能量传递效率(η_ET)为29.2%, 能量传递速率(ω_ET)为4.65×10⁴ s^-1.通过时间分辨荧光光谱, 获得了从WO₄^2-到Eu³⁺之间的能量传递的时间演变过程,当温度由10 K增加到300 K时, 能量传递出现的时间单调变小. 测试了不同温度(10–300 K)对CaWO₄:Eu³⁺的荧光寿命的影响, 发现在10–50K时,Eu³⁺的荧光寿命增加, 但温度超过50K时发生猝灭, 荧光寿命开始下降; WO₄^2-的荧光寿命则是随着温度的升高逐渐缩短. 关键词： 能量传递 红色荧光粉 温度依赖 4：Eu³⁺')" href="#">CaWO₄：Eu³⁺     

超冷铯分子0u+(6P3/2)长程态的高灵敏光缔合光谱研究

利用发展的调制俘获损耗荧光光谱技术实验测量了超冷铯分子0_u⁺(6P_3/2)长程态的高灵敏光缔合光谱. 光谱探测范围较国际已有报道扩大了60 cm^-1, 观察到25个长程区域新的振动能级. 通过LeRoy-Bernstein公式对振动束缚能数据进行拟合, 获得了超冷铯分子0_u⁺(6P_3/2)态的长程系数C₃ 为16.103±0.010. 构建了超冷铯分子0_u⁺(6P_3/2)态长程区域的势能曲线.     

纳米NaY1-x-yF4：Yby3+, Tmx3+材料的上转换光学特性

用水热法合成了NaY_1-x-yF₄:Yb_y³⁺,Tm_x³⁺上转换纳米粒子材料。实验发现,样品的粒径多数在100nm以内;当加热温度180℃、反应时间120min、稀土离子Tm³⁺的摩尔分数为0.04%时,所制备的纳米材料在980nm半导体激光激发下,其主要上转换发光的辐射峰值位于476.54nm处。     

Ba0.5Sr0.5TiO3有序构型的第一性原理研究

采用第一性原理计算了Ba_0.5Sr_0.5TiO₃三种有序构型的晶格结构和对应的电子结构,晶格结构的详细分析结果表明BST{100}有序构型为四方相,Ti-O八面体中Ti原子和Ba-Sr平面上的O原子沿[100]方向分别偏心位移0.040 Å和0.065 Å,八面体畸变导致反平行自发极化出现,构型处于反铁电态. BST{110}构型也是四方相,并且(110)和(1 关键词： 钛酸锶钡 第一性原理 有序结构 铁电性     

自发有序Ga0.5In0.5P合金的静压光致发光研究

在０—７ＧＰａ静压范围内测量了自发有序Ga_0.5In_0.5P合金的室温光致发光谱．三块样品的常压带隙能量分别比无序样品低１１５，９２和４３ｍｅＶ，它们的压力系数也从无序样品的９２ｍｅＶ／ＧＰａ分别减小到７５，８１和８３ｍｅＶ／ＧＰａ．用Γ-Ｌ相互作用模型可以同时解释有序合金的带隙能量的降低以及压力系数的减小．得到的Γ-Ｌ相互作用势分别为０.１９，０.１５和０.１０ｅＶ．表明在自发有序Ga_0.5In_0.5P合金中存在着的     

Charge ordering and structural transitions in Pr0.5Sr0.41Ca0.09MnO3

The structural and magnetic transitions in Pr_0.5Sr_0.41Ca_0.09MnO₃ have been investigated by neutron diffraction and electron microscopy. Two structural transitions, Imma to I4/mcm and I4/mcm to Pmmn, are observed by decreasing the temperature. Two magnetic transitions, from a paramagnetic insulating to a ferromagnetic metallic and from a ferromagnetic metallic to an antiferromagnetic insulating states at T_C=250 K and T_N=180 K, respectively, are also observed. The structures of these three forms have been determined from neutron powder diffraction data. The first important result concerns the low temperature antiferromagnetic CE type and charge ordered structure, which has been refined in the Pmmn space group, without any constraint. This structure is completely long range ordered, with two Mn-sites, Mn³⁺ in tetragonally elongated octahedra, and Mn⁴⁺, off-centered in nearly regular octahedra. The second important point concerns the abrupt character of the structural transition from the I4/mcm to the Pmmn structure, without any appearance of incommensurability. The magnetic and transport properties of this compound are compared with those of Pr_0.5Sr_0.5MnO₃.     

Energy transfer phenomena in ordered perovskites of the type Sr2Na0.5Ln3+0.5X6+O6

We have investigated perovskites with composition Sr₂Na_0.5Ln³⁺_0.5WO₆ and Sr₂Na_0.5Ln³⁺_0.5 UO₆ (Ln = La, Gd, Eu). Their luminescence gives information on crystallographic details of the crystal structure and on a number of different energy transfer phenomena in these compounds. For Ln = La the Na⁺ and La³⁺ ions are disordered; for Ln = Gd(Eu) they are ordered. Single-step energy transfer is observed for the couples U⁶⁺ -Eu³⁺ and W⁶⁺ - Eu³⁺; energy migration occurs within the uranium and the europium sublattices.     

Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCN

Dipole moment functions, both perpendicular and parallel to the molecular axis, are calculated from the SCF and MRD-CI results of a previous study for the normal ν₂ bending vibrations of HCN and DCN. Vibrationally averaged dipole moments and the infrared transition matrix elements are then obtained from the dipole moment functions and vibrational wave functions. MRD-CI results, with known experimental values in parentheses, for HCN are 〈0|μ|0〉 = ?2.954(?2.985) D, 〈1|μ|1〉 = ?2.915(±2.942) D, 〈0|μ|1〉 = 0.148(0.147) D, 〈0|μ|2〉 = ?0.027 D, 〈1|μ|2〉 = 0.210 D. Calculated absolute intensities at 1 atm and 0°C for the (02⁰0) ← (000), (02⁰0) ← (010), and (02²0) ← (010) bands of HCN are 25 (40 ± 10 as estimated from spectra), 8.5, and 17.0 atm^?1 cm^?2, respectively. Results for DCN are also reported.     

Ferroelectric-relaxor behavior of (Na0.5K0.5)NbO3-based ceramics

We report that ferroelectric-relaxor behavior is induced by doping of SrO and TiO₂, or BaO and TiO₂ into classic ferroelectric (Na_0.5K_0.5)NbO₃. It is found that [(Na_0.5K_0.5)_0.9Sr_0.1](Nb_0.9Ti_0.1)O₃ ceramics exhibit a pronounced ferroelectric-relaxor behavior, comparable to that of [(Na_0.5K_0.5)_0.9Ba_0.1](Nb_0.9Ti_0.1)O₃ ceramics. Our results indicate that the relaxor behavior is closely related to the appearance of micropolar regions in these systems. The relaxor behavior should arise from the dynamic response of micropolar clusters. Raman spectra of [(Na_0.5K_0.5)_1−xSr_x](Nb_1−xTi_x)O₃ ceramics measured in the wavenumber range from 100 to 1200 cm⁻¹ confirm that the first order scattering is dominant in phonon bands should result from both short-range ordered region (micropolar regions) and disordered matrix. The frequency dependence of dielectric permittivity measurements show that the relaxor behavior of SrO and TiO₂, or BaO and TiO₂ doped (Na_0.5K_0.5)NbO₃ ceramics is not a Debye type in the radio frequency range.     

Research on charge-ordering state in La0.5Sr0.5MnO2.88 and La0.5Sr0.5Mn0.5Ti0.5O3 systems

The structural, magnetic and transport properties of La_0.5Sr_0.5MnO_2.88 and La_0.5Sr_0.5Mn_0.5Ti_0.5O₃ samples have been investigated systematically. Indeed, this series has been considered to understand the influence of physical parameters such as oxygen deficiency and titanium doping effect in undoped La_0.5Sr_0.5MnO₃ sample. Ceramic material based on La_0.5Sr_0.5MnO_2.88 exhibits interesting behaviours of charge-ordering (CO), ferromagnetic (FM) states and a good conductivity down to the lowest temperatures. The substitution of Ti for Mn destroyed drastically the CO, damaged the motion of itinerant e_g electrons and changed the local parameters of perovskite cell. A change of the structure from tetragonal to rhombohedral symmetry is observed causing a weakening of double-exchange interaction. The experiment results show that the suppression of the CO is sensitive to the variety of Mn³⁺/Mn⁴⁺ ratio. In a field of 8 T at 10 K, FM and CO phase can be evaluated to be ∼20:80 according to the μ_exp/μ_cal ratio for La_0.5Sr_0.5MnO_2.88, whereas the CO state is suppressed for La_0.5Sr_0.5Mn_0.5Ti_0.5O₃ sample, FM and anti-ferromagnetic (AFM) phase are coexisted and evaluated to be ∼54:46, respectively.     

Transition densities between the 01+, 21+, 41+, 02+, 22+, 11− and 31− states in 12C derived from the three-alpha resonating-group wave functions

All the multipole transition densities between the seven T = 0 states in ¹²C are calculated with the use of the microscopic 3α resonating-group wave functions which are obtained by dynamically solving the 3α relative motion with the total antisymmetrization taken into account exactly. The observed elastic and inelastic electron scattering form factors for the transition to the 2₁⁺, 4₁⁺, 0₂⁺, 1₁^?and 3₁^? states are well reproduced with no additional effective charge. The existence of a deformed intrinsic state for the 0₁⁺, 2₁⁺and 4₁⁺states is deduced by the analysis of the transition densities between them which are derived by the weak-coupling-type 3α wave functions; the intrinsic density distribution is illustrated. The monopole density distribution of the 0₂⁺, 2₂⁺ and 1₁^?, states is found to be much longer ranged than that of the 0₁⁺, 2₁⁺ and 4₁⁺ states; the 3₁^? state case is intermediate. On the basis of the transition densities between the 0₁⁺, 2₁⁺, 0₂⁺ and 2₂⁺ states, analysis is made of the transition between the shell-like states and the molecule-like states with a large spatial-structure change. Specific, effective nucleon-nucleon interactions are folded into the transition densities here obtained. The evident dependence of the radial shape of the folded nucleon-¹²C form factors on the choice of the interactions and the multi-step form factors for the excitation of the 0₂⁺, 1₁^? and 3₁^? states are discussed.