Jahn-Teller, charge and magnetic ordering in half-doped manganese oxides

The phase diagram of half-doped manganite systems of formula A _0.5 A ^′ _0.5MnO₃ is investigated within a single-orbital model incorporating magnetic double-exchange and superexchange, together with intersite Coulomb and electron-lattice interactions. Strong Jahn-Teller and breathing mode deformations compete together and result in shear lattice deformations. The latter stabilize the charge-ordered CE-type phase, which undergo first-order transitions with temperature or magnetic field to either Ferromagnetic metallic or Paramagnetic insulating phases. An essential feature is the self-consistent screening of Coulomb and electron-phonon interactions in the ferromagnetic phase. Received 28 November 2000     

Kr-HF体系的分析势能函数再研究

根据所得到Kr HF体系的两种弱结合分子的结构参数、离解能和谐性力常数 ,采用多体项展式方法 ,对Kr HF体系的性质和势能函数重新进行了研究。导出KrHF(X1Σ+)基态分子的分析势能函数 ,获得KrHF(X1Σ+)体系的势能面。考察了这个势能函数的基本性质 ,准确地复现出Kr HF分子的平衡结构特征     

单电离态Kr原子强跃迁能级振子强度的研究

阐述了用束-箔方法通过测量单电离态Kr原子强跃迁谱线的能级寿命来 确定振子强度f-值的方法,并对确定出的强跃迁谱线的能级吸收振子强度进行简要讨 论。     

Effect of electron-phonon interaction on surface states in a ternary mixed crystal

A variational theory is proposed to study the surface states of electrons in a semi-infinite ternary mixed crystal, by taking the effect of electron-surface optical (SO) phonon interaction into account. The energy and the wave function of the electronic surface-states are calculated. The numerical results of the energies of the surface states of the polarons and the self-trapping energies are obtained as functions of the composition x and surface potential V₀ for several ternary mixed crystal materials. The results show that the electron-phonon interaction lowers the surface-state levels with the energies from several to scores of meV. It is also found that the self-trapping energy of the surface polaron has a minimum at some middle value of the composition x. It is indicated that the electron-phonon coupling effect can not be neglected. Received 4 January 1999 and Received in final form 7 January 2000     

-wave nonadiabatic superconductivity

The inclusion of nonadiabatic corrections to the electron-phonon interaction leads to a strong momentum dependence in the generalized Eliashberg equations beyond Migdal's limit. For a s-wave symmetry of the order parameter, this induced momentum dependence leads to an enhancement of when small momentum transfer is dominant. Here we study how the d-wave symmetry affects the above behavior. We find that the nonadiabatic corrections depend only weakly on the symmetry of the order parameter provided that only small momentum scatterings are allowed for the electron-phonon interaction. In this situation, We show that also for a d-wave symmetry of the order parameter, the nonadiabatic corrections enhance . We also discuss the possible interplay and crossover between s- and d-wave depending on the material's parameters. Received 12 May 2000     

Infrared diode laser spectroscopy of the Kr–N2O van der Waals complex: the v 1 symmetric stretch region of N2O

The rovibrational spectra of four isotopomers of the Kr–N₂O van der Waals complex, namely ⁸²Kr–N₂O, ⁸³Kr–N₂O, ⁸⁴Kr–N₂O and ⁸⁶Kr–N₂O, were measured in the v ₁ vibrational band region of the N₂O monomer (～1285?cm^?1) using a tunable diode laser spectrometer to probe a pulsed supersonic slit jet. Rotational constants for both ground and excited vibrational states of these four isotopomers were accurately determined. The band-origin of Kr–N₂O was observed to shift by +0.1065?cm^?1 from that of the monomer. The band-origin shifts of Rg–N₂O (Rg?=?Ne, Ar, Kr) in the v ₁ vibrational band region could also be well explained by the model based on a Buckingham intermolecular potential [W.A. Herrebout, H.-B. Qian, H. Yamaguchi and B.J. Howard, J. Mol. Spectrosc. 189, 235 (1998)]. But the band-origin shift of He–N₂O was found to deviate significantly from this model. The possible reason is discussed and the band-origin shift of Xe–N₂O predicted.     

Augmented Gaussian basis sets of double and triple zeta valence qualities for the atoms K and Sc–Kr: Applications in HF, MP2, and DFT calculations of molecular electric properties

Augmented Gaussian basis sets of double and triple zeta valence qualities plus polarization functions for the atoms K and from Sc to Kr are presented. They were generated from the all-electron unaugmented sets by addition of diffuse functions (s, p, d, f, and g symmetries) that were optimized for the anion ground states. From these sets, Hartree–Fock, second-order Møller–Plesset perturbation theory, and density functional theory electric dipole moment and dipole polarizability calculations for a sample of molecules were carried out. Comparison with theoretical and experimental values available in the literature was done.     

Experimental investigation of the line center of Hg intercombination spectral line 253.7 nm perturbed by Kr

The collision broadening and shift of the Hg intercombination spectral line 253.7 nm (6¹S₀–6³P₁) perturbed by Kr has been investigated using a high-resolution scanning Fabry–Perot interferometer. The values of the pressure broadening and shift coefficients β and δ, respectively, for the studied line have been obtained. The obtained coefficients β and δ are compared with their corresponding published experimental values and also those calculated using Lindholm–Foley impact theory.     

黑体辐射公式的多种推导及其在近代物理构建中的意义(Ⅰ)

黑体辐射是近代物理史上一只会下金蛋的鹅,是近代物理的摇篮。黑体辐射研究的意义还在于这是唯一一个涉及c,k,h三个普适常数的物理情景。黑体辐射谱抗测量误差的特性带来了辐射标准和绝对温度参照,谱分布公式对模型的不敏感则使得黑体辐射成为独特的物理研究母题。黑体辐射谱分布公式,普朗克多角度推导过,德拜推导过,艾伦菲斯特推导过,劳厄推导过,洛伦兹和庞加莱深入讨论过,泡利推导过,玻色推导过,爱因斯坦在20多年的时间里多角度推导过且产出最为丰硕,近代还有从相对论角度的推导,每一个角度的推导都带来了物理学的新内容,这包括量子力学、固体量子论、受激辐射、量子统计、相对论统计,等等。认真回顾黑体辐射研究的历史细节,考察其中的思想概念演化,不啻于体验一次教科书式的学(做)物理之旅,比如也可以尝试给出能量局域分立化的简单新证明。     

Arnold resonances and quantum states

The dynamics of one electron interacting with a linear chain of heavy atoms bears a strong similarity with the propagation of a classical wave in a periodic non linear medium. Arnold resonances of the dynamical system play a central role. Some of the quantum states associated with these resonances are delocalized and contribute to phenomena such as Peierls dimerization while other ones are localized and are similar to the gap solitons of the classical wave theory, we call them Braggons. Complex Braggons containing several electrons inside the same localized profile are also described.