d2,8电子体系共价效应对光谱的影响

在含过渡金属离子的半磁半导体的光学和磁学性质研究中,由于体系的共价性较强,d轨道不再是纯d轨道,而是混合轨道t2g或eg。相应地,需要引入两个共价因子Nt和Ne。建立在混合轨道上的含有共价因子的能量矩阵称为广义能量矩阵。建立了d2,8电子体系的(45×45)阶广义能量矩阵。在广义能量矩阵中,拉卡(Racah)参量A不再是相加常量,同时,d8电子体系不能简单地视为互补的d2空穴体系,因为它们的能量矩阵形式不同。Nt和Ne虽然是属于两个不同轨道的不同的共价因子,但在数值上不能有大的差别,因为考虑进共价效应后,拉卡静电参量A对能级计算有极大的影响。这意味着在通常的光谱拟合中所采用的BCΔ方案是好的近似。以上结论被应用于ZnS∶Ni2 的d-d跃迁谱,计算结果与实验符合。     

Two-step dissociation of a polaron in conjugated polymers

We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schr\"{o}dinger equation nonadiabatically and the lattice equation of motion simultaneously. It is found that the polaron may experience two sequent transitions under high fields; one is the transition from the subsonic to the supersonic state, and the other from the supersonic to dissociated state. The acoustic mode is decoupled from the charge when the polaron moves at a speed faster than the sound speed, and then the optical mode is decoupled at the second transition to make the polaron dissociate completely.     

Characteristics of Raman spectra of natural clinochlore at 200 degrees C and 0.95-7.70 GPa

Variation of crystal structure of natural clinochlore with pressure was investigated by the approach of diamond anvil cell (DAC) and in situ micro-Raman spectroscopic measurement at 200 degrees C and up to 7.7 GPa. The 481 and 786 cm(-1) peaks shift towards high-frequency linearly with increasing pressure at 200 degrees C. The linear relations between Raman shift (N, cm(-1)) and pressure (P, GPa) for the two peaks are: N = 11.136P+482.6 (R2 = 0.987 4) and N = 5.055P+785.7 (R2 = 0.983 7), respectively. The 865 cm(-1) peak arising from the stretching mode of the Si-O(nb) shifts slightly because of the strong repulsion between T cations at the tetrahedral sites and M cations at the octahedral sites in the TOT layer. Raman shift of 481 cm(-1) and 786 means the shortening of the length of M-O(br) and Si-CO(br) bonds since the peaks are contributed by the stretching mode of the M-O(br) and Si-O(br) respectively. No phase transition of clinochlore under the experimental condition was found. The results indicate that chlorite minerals may be stable at least at a depth of 80-90 km in the cold subduction zones, and the fluid derived from chlorite dehydration may be an important fact for earthquake occurrence in the subduction zones.     

Solving (2+1)-dimensional sine-Poisson equation by a modified variable separated ordinary differential equation method

By introducing a more general auxiliary ordinary differential equation (ODE), a modified variable separated ordinary differential equation method is presented for solving the (2+1)-dimensional sine-Poisson equation. As a result, many explicit and exact solutions of the (2+1)-dimensional sine-Poisson equation are derived in a simple manner by this technique.     

Exact solution of the two-mode quantum Rabi model

An analytical method is developed to study the two-mode quantum Rabi model. For certain specific parameter conditions, especially for the resonant conditions, we obtain an infinite number of the exact solutions of the eigenfunctions and associated energies. It is shown that there exist new types of the exact energies which do not correspond to the level-crossings. Our analytical method may find applications in some related models.     

Quantum to classical crossover under dephasing effects in a two-dimensional percolation model

Scaling theory predicts complete localization in d = 2 in quantum systems belonging to the orthogonal class(i.e., with timereversal symmetry and spin-rotation symmetry). The conductance g behaves as g^exp(-L/l) with system size L and localization length l in the strong disorder limit. However, classical systems can always have metallic states in which Ohm’s law shows a constant g in d=2. We study a two-dimensional quantum percolation model by controlling dephasing effects. The numerical investigation of g aims at simulating a quantum-to-classical percolation evolution. An unexpected metallic phase, where g increases with L, generates immense interest before the system becomes completely classical. Furthermore, the analysis of the scaling plot of g indicates a metal-insulator crossover.     

消毒灭菌的电离辐射与电磁辐射等物理技术比较分析北大核心CSCD

消毒灭菌技术广泛应用于食品工业、医疗领域、水处理等方面。相对于传统化学和热效应的消毒灭菌方法,γ射线、X射线、电子束、微波、低温等离子体、紫外线、高压脉冲电场等物理手段具有不污染环境、消毒灭菌温度低、没有化学残留物等优点而日益受到重视。但这些物理技术手段各有不同,本文首先介绍了γ射线、X射线、电子束、微波、低温等离子体、紫外线、高压脉冲电场等消毒灭菌的技术原理,然后对比了各自优缺点和应用领域。每种方法都有优势和不足,应针对不同的消毒灭菌对象而选择不同的方式。最后,展望了消毒灭菌的发展方向,提出了消毒灭菌在家庭日常消毒、医疗垃圾处理、有人状态下的室内空气消毒等方面的迫切需求。     

Optical properties in a two-dimensional quantum ring: Confinement potential and Aharonov-Bohm effect

Optical properties of a two-dimensional quantum ring with pseudopotential in the presence of an external magnetic field and magnetic flux have been theoretically investigated. Our results show that both of the pseudopotential and magnetic field can affect the third non-linear susceptibility and oscillator strength. In addition, we found that the oscillator strength and the absolute value of the resonant peak of the linear, non-linear and total absorption coefficient demonstrates the Aharonov-Bohm oscillation with magnetic flux, moreover, changes in confinement potential can influence the Aharonov-Bohm oscillation in peak while the resonant peak value of the linear, non-linear and total refractive index changes decreases as magnetic flux increases.     

A first-principles study of C + O reaction on NiCo(1 1 1) surface

A density-functional theory method has been conducted to investigate the association of C + O on (1 1 1) facets of ordered NiCo alloy and the results have been compared with those obtained on pure Ni(1 1 1) surface. In reaction of C + O, the favorable reaction path is that C adsorbed on HCP-1 site moves to the nearest Ni-Co bridge site, and associates with O migrating from FCC-1 site to result in CO adsorbed on the bridge site of Ni-Co. However, the reaction barrier is higher by 0.35 eV than that on pure Ni(1 1 1), which indicates that the incorporation of Co into the Ni crystal is not in favor of the reaction of carbon delimination.     

Effects of nanostructure on optoelectronic properties of β phase polyoctylfluorene thin film

β phase polyoctylfluorene thin films were obtained by exposure to toluene vapor for various annealing times or dipping into a THF/methanol mixture. The photoluminescence and electroluminescence of PFO thin films decrease with increasing annealing time. Grazing incident X-ray diffraction of the thin films indicates that more and larger β phase crystallites will be generated in thin film exposed for longer time, which will lead to more defects that reduce photoluminescence and electroluminescence. By analyzing the mechanism of formation of β phase, we assume that the defects mainly come from the formation of out-of-plane crystalline structure. The assumption is confirmed by higher photoluminescence of β phase polyoctylfluorene thin film achieved by dipping into a THF/methanol mixture that has less out-of-plane crystalline structure.