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81.
The equilibrium geometry and hyperfine interaction constants of the nearest and next-to-nearest neighbor atoms are calculated for a negatively charged silicon vacancy in the high-spin state in cubic SiC. The calculations are performed within the cluster approach in terms of the density-functional theory (DFT). It is shown that the results of calculations with the use of a 70-atom cluster are in good agreement with experimental data. A detailed consideration is given to spin polarization in the electron subsystem and the applicability of a simple LCAO model that is commonly used in the interpretation of the electron paramagnetic resonance data for semiconductors. The spin density distribution for the defect under investigation is analyzed in terms of localized orbitals. 相似文献
82.
83.
James K. Freericks Elliott H. Lieb Daniel Ueltschi 《Communications in Mathematical Physics》2002,227(2):243-279
The Falicov–Kimball model is a simple quantum lattice model that describes light and heavy electrons interacting with an
on-site repulsion; alternatively, it is a model of itinerant electrons and fixed nuclei. It can be seen as a simplification
of the Hubbard model; by neglecting the kinetic (hopping) energy of the spin up particles, one gets the Falicov–Kimball model.
We show that away from half-filling, i.e. if the sum of the densities of both kinds of particles differs from 1, the particles
segregate at zero temperature and for large enough repulsion. In the language of the Hubbard model, this means creating two
regions with a positive and a negative magnetization.
Our key mathematical results are lower and upper bounds for the sum of the lowest eigenvalues of the discrete Laplace operator
in an arbitrary domain, with Dirichlet boundary conditions. The lower bound consists of a bulk term, independent of the shape
of the domain, and of a term proportional to the boundary. Therefore, one lowers the kinetic energy of the itinerant particles
by choosing a domain with a small boundary. For the Falicov- Kimball model, this corresponds to having a single “compact”
domain that has no heavy particles.
Received: 21 June 2001 / Accepted: 4 January 2002 相似文献
84.
A.R. DegheidyM.T. Attia M. Sallah 《Journal of Quantitative Spectroscopy & Radiative Transfer》2002,74(3):285-297
The time-independent radiative transfer problem in a scattering and absorbing planar random medium with general boundary conditions and internal energy source is considered. The medium is assumed to consist of two randomly mixed immiscible fluids, with the mixing statistics described as a two-state homogeneous Markov process. The problem is solved in terms of the solution of the corresponding free-source problem with simple boundary conditions which is solved using Pomraning-Eddington approximation in the deterministic case. A formalism, developed to treat radiative transfer in statistical mixtures, is used to obtain the ensemble-averaged solution. The average partial heat fluxes are calculated in terms of the albedoes of the source-free problem. Results are obtained for isotropic and anisotropic scattering for specular and diffused reflecting boundaries. 相似文献
85.
86.
U. T. Yakhshiev 《Physics of Atomic Nuclei》2002,65(3):562-566
The properties of Skyrmions in finite nuclei are considered. The deformation effect is taken into account through the external-field-induced distortion of the profile function of a chiral field. The masses of classical Skyrmions and the distribution of their baryon number versus the Skyrmion position within a nucleus are discussed. 相似文献
87.
It is explicitly shown that if phase transition occurs at the core of a newborn neutron star with moderately strong magnetic
field strength, which populates only the electron’s Landau levels, then in the β -equilibrium condition, the quark core is
energetically much more unstable than the neutron matter of identical physical condition. 相似文献
88.
89.
X-ray diffraction patterns of nanocrystalline Fe-Cu-Nb-Si-B (FINEMET) alloys reveal that bcc α-Fe/α-FeSi crystallites with
the average grain size of 20(5) nm are dispersed in amorphous matrix. Enhanced electron—electron interaction (EEI) and quantum
interference (QI) effects as well as electron-magnon (and/or electron-spin fluctuation) scattering turn out to be the main
mechanisms that govern the temperature dependence of resistivity. Of all the inelastic scattering processes, inelastic electron-phonon
scattering is the most effective mechanism to destroy phase coherence of electron wave functions. The diffusion constant,
density of states at the Fermi level and the inelastic scattering time have been estimated, for the first time, for the alloys
in question
Article presented at the International Symposium on Advances in Superconductivity and Magnetism: Materials, Mechanisms and
Devices, ASMM2D-2001, 25–28 September 2001, Mangalore, India. 相似文献
90.
Hellweg T. Schemmel S. Rother G. Brlet A. Eckerlebe H. Findenegg G.H. 《The European physical journal. E, Soft matter》2003,12(1):1-4
The European Physical Journal E - The temperature-induced microphase separation of the binary liquid system iso-butyric acid+heavy water (iBA + D2O) in a mesoporous silica glass (CPG-10-75) of... 相似文献