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911.
Specific heat and magnetization measurements demonstrate that the antiferromagnetic (AFM) phase transition at T N  = 5.7 K of EuTiO3 is rapidly suppressed with Sr doping in Eu x Sr1?x TiO3. Close to x = 0.25, T N  = 0 K and AFM order vanishes. Above this critical concentration a finite transition temperature to an AFM phase is observed. The exchange couplings are derived as a function of x and the corresponding low temperature phase diagram is presented.  相似文献   
912.
913.
914.
Random-phase approximation (RPA) correlation methods based on Kohn–Sham density-functional theory and Hartree–Fock are derived using the adiabatic-connection fluctuation dissipation theorem. It is shown that the correlation energy within the adiabatic-connection fluctuation-dissipation theorem is exact in a Kohn–Sham framework while for Hartree–Fock reference states this is not the case. This shows that Kohn–Sham reference states are probably better suited to describe electron correlation for use in RPA methods than Hartree–Fock reference states. Both, Kohn–Sham and Hartree–Fock RPA methods are related to each other both by comparing the underlying correlation functionals and numerically through the comparison of total energies and reaction energies for a set of small organic molecules.  相似文献   
915.
Jörn Manz 《Molecular physics》2013,111(4):641-655
A model hamiltonian which describes the non-reactive collision of two non-linear molecules has been constructed. This hamiltonian gives insight into the character of the complex translational, vibrational and rotational motions. The main features of the isolated molecule case are essentially disturbed by the non-adiabatic interaction between the macroscopic molecular motions and the vibrations. The usual angular momentum expressions are found to be the asymptotic limits of the true angular momenta in the case when these non-adiabaticities are switched off.  相似文献   
916.
A new experimental technique, nuclear spin quenching (NSQ), is introduced, which can be used to measure droplet size and inter-droplet exchange rates of various intrinsic molecular species in disperse systems. The physical basis of the method is the quenching of the fine structure in spin-coupled N.M.R. spectra by intermolecular proton exchange, the rate of which is controlled by droplet exchange. The theoretical framework needed to interpret NSQ experiments is presented as well as an experimental case study on a water-in-oil microemulsion system. Being non-perturbing and having a large dynamic range, the NSQ technique should become a valuable complement to existing techniques for the study of structure and dynamics in disperse fluids.  相似文献   
917.
The behaviour of the latent image produced by actinic radiation (λ = 365 nm and λ = 407 nm) in AgCl monocrystal foils highly doped with Cd and grown and annealed under various conditions was studied by extinction measurements in the near infrared. The photographic elementary process in these highly doped crystals cannot be described satisfactorily by the classical Gurney Mott model. Therefore another model was used based on the creation of anion vacancies and molecular chlorine complexes. The radiation-induced electrons occupy these anion vacancies, and quasi- metallic centres are formed. By this model the behaviour of the light-induced latent image can also be described as the nuclear particle track formation in the Cd doped AgCl crystals.  相似文献   
918.
Energy transfer by excitons is now well established in films and solutions of aromatic polymers. Excitons in disordered systems can be considered as electronically excited states, which are transferred between the light absorbing groups in a random hopping process (the same is true in molecular crystals if, because of thermal vibrations, the coherence length of the exciton waves approaches the lattice constant and consequently the band model of the excitons breaks down).  相似文献   
919.
In this paper we present a model for hysteretic nonlinearities with non-local memories. This model can be applied to describe hysteretic material behavior. Common applications are ferromagnetic or ferroelectric materials. Our model consists of an analytic function and a Preisach operator. We define a continuous Preisach weight function and introduce a method for the identification of the model parameters. The model parameters are customized to a set of symmetric hysteresis curves. We verify our model for a soft magnetic material, a hard magnetic material and the ferroelectric behavior of some piezoelectric material. After that, non-symmetric curves like the virgin curve are predicted very well by the model. It is especially useful, if forced magnetization or polarization, that appears beyond technical saturation, come into account.  相似文献   
920.
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