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1.
The electronic structure of the RFe 6 Ge 6 compounds ( R = Sc, Lu, Ti, Zr, Hf and Nb) of HfFe 6 Ge 6 -type structure has been studied using the muffin-tin Korringa-Kohn-Rostoker method in a non-relativistic approach. The chemical bonding is analyzed based on the l-decomposed site projected densities of states. Spin-dependent changes in the R nd- Fe 3d covalent bond are shown to be responsible for the experimentally observed rise in the Fe moment and hyperfine field upon increasing the R valency. The limited quantitative agreement between theoretical and experimental values is interpreted as being due to a non-negligible orbital moment and to a significant asphericity in the spin density at the iron site. The theoretical results also forecast a strong increase of the Ge(2e) transferred hyperfine field with the R valency. Received 20 December 2002 Published online 4 June 2003 RID="a" ID="a"e-mail: Thomas.Mazet@lcsm.uhp-nancy.fr RID="b" ID="b"Associé au CNRS (UMR 7555)  相似文献   

2.
We start from a parity-breaking MCS QED3 model with spontaneous breaking of the gauge symmetry as a framework for evaluation of the electron-electron interaction potential and for attainment of numerical values for the e - e - - bound state. Three expressions ( V eff , V eff , V eff ) are obtained according to the polarization state of the scattered electrons. In an energy scale compatible with condensed matter electronic excitations, these three potentials become degenerated. The resulting potential is implemented in the Schr?dinger equation and the variational method is applied to carry out the electronic binding energy. The resulting binding energies in the scale of 10-100 meV and a correlation length in the scale of 10-30 ? are possible indications that the MCS-QED3 model adopted may be suitable to address an eventual case of e - e - pairing in the presence of parity-symmetry breakdown. The data analyzed here suggest an energy scale of 10-100 meV to fix the breaking of the U (1)-symmetry. Received 24 September 2002 / Received in final form 15 January 2003 Published online 1st April 2003 RID="a" ID="a"e-mail: belich@cbpf.br RID="b" ID="b"e-mail: delcima@cbpf.br RID="c" ID="c"e-mail: manojr@cbpf.br RID="d" ID="d"e-mail: helayel@cbpf.br  相似文献   

3.
The electronic structure, total density of states DOS and electronic density in ferroelectric tetragonal crystal BaTiO3 are studied using WIEN2k package. This employs the full potential-linearized augmented plan wave FP-LAPW method in the framework of the density functional theory DFT with the generalized gradient approximation (GGA). The results show an indirect band gap of 2.30 eV at the Γ point in the Brillouin zone. The calculated band structure and density of states of BaTiO3 agree with the previous experimental and theoretical results, as do the charge distribution and the prediction of the nature of the chemical bonding. Received 11 December 2002 / Received in final form 3 February 2003 Published online 1st April 2003 RID="a" ID="a"e-mail: salehihamid@yahoo.com  相似文献   

4.
We report a comparative investigation of trap loss rates in a magneto-optical trap for two potassium isotopes, 39K and 40K, as a function of trap light intensity. The isotopes present a quite similar behavior for the loss rates at high intensities, and a sudden increase of the loss rates at low intensities is present in both cases. While for 39K such increase can be explained assuming that the major contribution to the losses comes from hyperfine changing collisions, a different loss mechanism must be considered for 40K, which has an inverted ground state hyperfine structure. The experimental results of both isotopes are well reproduced by an alternative model based on radiative escape as the dominant loss mechanism. Received 1st May 2002 / Received in final form 19 October 2002 Published online 4 March 2003 RID="a" ID="a"Alternative address: Dipartimento di Fisica, Universitá di Trento, 38050 Povo (Tn), Italy. RID="b" ID="b"e-mail: marcassa@if.sc.usp.br  相似文献   

5.
We have performed a first-principles study of structural, dynamical, and dielectric properties of the chalcopyrite semiconductor CuInS2. The calculations have been carried out within the local density functional approximation using norm-conserving pseudopotentials and a plane-wave basis. Born effective charge tensors, dielectric permitivity tensors, the phonon frequencies at the Brillouin zone center and mode oscillator strengths are calculated using density functional perturbation theory. The calculated properties agree with infrared and Raman measurements. Received 12 December 2002 / Received in final form 17 March 2003 Published online 20 June 2003 RID="a" ID="a"e-mail: resul@ibu.edu.tr  相似文献   

6.
We present a model of pressure effects of a two-band superconductor based on a Ginzburg-Landau free energy with two order parameters. The parameters of the theory are pressure as well as temperature dependent. New pressure effects emerge as a result of the competition between the two bands. The theory then is applied to MgB2. We identify two possible scenaria regarding the fate of the two σ subbands under pressure, depending on whether or not both subbands are above the Fermi energy at ambient pressure. The splitting of the two subbands is probably caused by the E2g distortion. If only one subband is above the Fermi energy at ambient pressure (scenario I), application of pressure diminishes the splitting and it is possible that the lower subband participates in the superconductivity. The corresponding crossover pressure and Gr neisen parameter are estimated. In the second scenario both bands start above the Fermi energy and they move below it, either by pressure or via the substitution of Mg by Al. In both scenaria, the possibility of electronical topological transition is emphasized. Experimental signatures of both scenaria are presented and existing experiments are discussed in the light of the different physical pictures. Received 3 September 2002 / Received in final form 16 December 2002 Published online 14 February 2003 RID="a" ID="a"e-mail: joseph.betouras@ua.ac.be RID="b" ID="b"On leave from N.S. Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences, 31 Leninskii prospekt, 117915, Moscow, Russia  相似文献   

7.
We consider quantum electrodynamics with additional coupling of spinor fields to the space-time independent axial vector violating both Lorentz and CPT-symmetries. The Fock-Schwinger proper-time method is used to calculate the one-loop effective action up to the second order in the axial vector and to all orders in the space-time independent electromagnetic field strength. We find that the Chern-Simons term is not radiatively induced and that the effective action is CPT-invariant in the given approximation. Received: 29 January 2003 / Published online: 24 March 2003 RID="a" ID="a" e-mail: sitenko@itp.unibe.ch RID="b" ID="b" e-mail: rulik@to.infn.it  相似文献   

8.
The effect of melting transition on the ionization potential has been studied for sodium clusters with 40, 55, 142, and 147 atoms, using ab initio and classical molecular dynamics. Classical and ab initio simulations were performed to determine the ionization potential of Na142 and Na147 for solid, partly melted, and liquid structures. The results reveal no correlation between the vertical ionization potential and the degree of surface disorder, melting, or the total energy of the cluster obtained with the ab initio method. However, in the case of 40 and 55 atom clusters, the ionization potential seems to decrease when the cluster melts. Received 1st November 2002 Published online 24 April 2003 RID="a" ID="a"e-mail: ar@phys.jyu.fi  相似文献   

9.
We have studied the fluorescence of electronically excited OH*, H* and H2O+* dissociation fragments after VUV excitation ( h ν≥11.6 eV) of rare-gas clusters (Rg = Ne, Ar) doped with H2O molecules. In contrast to a free molecule, where Balmer H-series dominate the UV-visible spectra, only the OH * ( A 2 Σ + X 2 Π) emission band is observed in neon clusters. No emission of excited water ions has been observed. We find that while higher excitation energies (Ne vs. Ar) induce higher vibrational excitation of the OH* ( A ) fragment, the rotational temperature is lower. This effect is attributed to the difference in the geometric position of the H2O molecule on the surface or inside the Rg-cluster. The rotational relaxation in neon clusters is rapid while the vibrational relaxation is slow because of the coupling with the low energy matrix phonons. Received 7 March 2002 / Received in final form 27 May 2002 Published online 19 July 2002  相似文献   

10.
We calculate the , (P is the light pseudoscalar meson, V the light vector meson) form factors in the large-recoil limit in the perturbative QCD approach, including both the vector (axial vector) and tensor operators. In general there are two leading components and for the B meson wave functions. We consider both contributions of them. Sudakov effects ( and threshold resummation) are included to regulate the soft end-point singularity. By choosing the hard scale as the maximum virtualities of the internal particles in the hard b quark decay amplitudes, Sudakov factors can effectively suppress the long-distance soft contribution. The hard contribution can be dominant in these approaches. Received: 27 December 2002 / Published online: 5 May 2003 RID="a" ID="a" e-mail: lucd@mail.ihep.ac.cn RID="b" ID="b" e-mail: yangmz@mail.ihep.ac.cn  相似文献   

11.
A systematic investigation on the muon's anomalous magnetic moment and a related lepton flavor-violating process such as , and is made at the two-loop level in the models with flavor-changing scalar interactions. The two-loop diagrams with double scalar exchanges are studied and their contributions are found to be compatible with the ones from the Barr-Zee diagram. By comparing with the latest data, the allowed ranges for the relevant Yukawa couplings Yij in the lepton sector are obtained. The results show the hierarchical structure in the physical basis if is found to be . It deviates from the widely used ansatz in which the off-diagonal elements are proportional to the square root of the products of the related fermion masses. An alternative Yukawa coupling matrix in the lepton sector is suggested to understand the current data. With such a reasonable Yukawa coupling ansatz, the decay rate of is found to be near the current experiment upper bound. Received: 5 September 2002 / Revised version: 11 January 2003 / Published online: 26 February 2003 RID="a" ID="a" e-mail: zhou@theorie.physik.uni-muenchen.de RID="b" ID="b" e-mail: ylwu@itp.ac.cn  相似文献   

12.
We report results of the atomic and electronic structures of Al7C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al7 cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al7C- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al7C- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al7N which has the same number of valence electrons as in Al7C- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al7N)2 to study interaction between magic clusters. Received 28 July 2001  相似文献   

13.
A five-level system to control the wavelength of the in-line amplifier by the quantum interference is proposed. It is found that the gains of the first and the second probe can be adjusted by changing the coherent field and the incoherent pumping. The new scheme may find its application in optical switch and optical communications. Received 9 October 2002 Published online 24 April 2003 RID="a" ID="a"e-mail: qol@mail.jlu.edu.cn  相似文献   

14.
Quark mass effects are analyzed at high Q2 in the current fragmentation region of DIS. It is found that the linear combination F 2 -2.75F c 2 scales at large Q2 and small x. We obtained a lower bound for the ratio F c 2/F 2 which lies very close to the data from HERA. Received: 14 January 2002 / Revised version: 9 October 2002 Published online: 9 December 2002 RID="a" ID="a" e-mail: ryutin@th1.ihep.su  相似文献   

15.
We show that maximal atmospheric and large solar neutrino mixing can be implemented in SU(5) gauge theories, by making use of the U(1) F symmetry associated with a suitably defined family number F, together with a Z2 symmetry which does not commute with F. U(1) F is softly broken by the mass terms of the right-handed neutrino singlets, which are responsible for the seesaw mechanism; in additio n, U(1) F is also spontaneously broken at the electroweak scale. In our scenario, lepton mixing stems exclusively from the right-handed-neutrino Majorana mass matrix, whereas the CKM matrix originates solely in the up-type-quark sector. We show that, despite the non-supersymmetric character of our model, unification of the gauge couplings can be achieved at a scale 1016 GeV < m U < 1019 GeV; indeed, we have found a particula r solution to this problem which yields results almost identical to the ones of the minimal supersymmetric standard model. Received: 29 November 2002 / Published online: 3 March 2003 RID="a" ID="a" e-mail: walter.grimus@univie.ac.at RID="b" ID="b" e-mail: balio@cfif.ist.utl.pt  相似文献   

16.
 We obtain explicit expressions for all genus one chiral n-point functions for free bosonic and lattice vertex operator algebras. We also consider the elliptic properties of these functions. Received: 6 May 2002 / Accepted: 4 October 2002 Published online: 24 January 2003 RID="*" ID="*" Partial support provided by NSF DMS-9709820 and the Committee on Research, University of California, Santa Cruz RID="⋆⋆" ID="⋆⋆" Supported by an Enterprise Ireland Basic Research Grant and the Millenium Fund, National University of Ireland, Galway Communicated by L. Takhtajan  相似文献   

17.
Spectroscopic experiments have been performed, providing emission and excitation spectra of calcium atoms trapped on argon clusters of average size 2 000. The two experimental spectra fall in the vicinity of the calcium resonance line 1P 11S0 at 422.9 nm. The excitation spectrum consists in two bands located on each side of the resonance line of the free calcium. In addition, Monte Carlo calculations, coupled to Diatomics-In-Molecule potentials are employed to simulate the absorption spectrum of a single calcium atom in the environment of a large argon cluster of average size 300. The theoretical absorption spectrum confirms the existence of two bands, and shows that these bands are characteristic of a calcium atom located at the surface of the argon cluster and correspond to the excited 4p orbital of calcium either perpendicular or parallel to the cluster surface. The precise comparison between the shape of the absorption spectrum and that of the fluorescence excitation spectrum shows different intensity ratios. This could suggest the existence of a non adiabatic energy transfer that quenches partly the fluorescence of trapped calcium. Another explanation, although less likely, could be a substantial dependence of the calcium oscillator strength according to the alignment of the calcium excited orbital with respect to the cluster surface. The emission spectrum always shows a band in the red of the resonance line which is assigned to the emission of calcium remaining trapped on the cluster. When exciting the blue band of the excitation spectrum, the emission spectrum shows a second, weak, component that is assigned to calcium atoms ejected from the argon clusters, indicating a competition between ejection and solvation. Received 7 May 2002 Published online 1st October 2002 RID="a" ID="a"e-mail: jmm@drecam.saclay.cea.fr RID="b" ID="b"URA 2453 du CNRS RID="c" ID="c"UMR 5626 du CNRS  相似文献   

18.
Strutinsky shell corrections for the cesium-coated fullerenes were investigated. The single particle levels of electrons are obtained using the spherical mean-field potential of a shifted Wood-Saxon type. The parameters of the potential are adjusted to reproduce the experimental ionization energies of the Cs(N) clusters and the magic numbers observed in their photo-ionization spectra of the C60Cs(N) aggregates. Received 24 May 2002 / Received in final form 9 July 2002 Published online 15 October 2002 RID="*" ID="*"This work has been partly supported by the Polish Committee for Scientific Research under Contract No. 2P03B 115 19 and by the Program of Scientific Exchange between the IN2P3-France and the Polish Research Institution No. 99-95. RID="b" ID="b"e-mail: Krzysztof.Pomorski@umcs.lublin.pl  相似文献   

19.
High-spin states in the 97Tc nucleus have been studied by in-beam γ-ray spectroscopy with the reaction 82Se(19F,4nγ) at 68 MeV incident energy. Excited states have been observed up to about 8 MeV excitation and spin 43/2. The observed level scheme is compared with results of shell model calculations. Received: 22 November 2002 / Accepted: 23 December 2002 / Published online: 18 March 2003 RID="a" ID="a"e-mail: bucurescu@tandem.nipne.ro RID="b" ID="b"Present address: INFN, Laboratori Nazionali di Legnaro, Legnaro, Italy. RID="b" ID="b"Present address: INFN, Laboratori Nazionali di Legnaro, Legnaro, Italy. RID="b" ID="b"Present address: INFN, Laboratori Nazionali di Legnaro, Legnaro, Italy. RID="c" ID="c"Present address: Università di Padova, Padova, Italy. Communicated by C. Signorini  相似文献   

20.
A modification to the well-known z-scan technique for measuring optical non-linearities is introduced. It is based on directly measuring the beam radius in the far field instead of the transmittance of the irradiance through an aperture, as in the original version. It has the advantage of being insensitive to beam pointing instability and is almost insensitive to power fluctuations. Furthermore, the calculations required for the determination of the non-linear parameters are simplified. For demonstrating the advantages of the modified method, beam radius and transmittance measurements were simultaneously taken in the standard non-linear optical material CS2. Separate fittings of these measurements gave almost the same values for the non-linearities, quite similar to those in the literature. A common fitting has been applied to both sets of measurements, enhancing the accuracy of the method. Received: 8 July 2002 / Revised version: 18 October 2002 / Published online: 8 January 2003 RID="*" ID="*"Corresponding author. Fax: +30-2610/997470, E-mail: gianetas@physics.upatras.gr  相似文献   

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