排序方式: 共有160条查询结果,搜索用时 46 毫秒
1.
Q. Sun Q. Wang X.G. Gong V. Kumar Y. Kawazoe 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):77-81
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
2.
F.A. Fernández-Lima C.R. Ponciano E. Pedrero E.F. da Silveira 《Applied Surface Science》2006,252(23):8171-8177
Experimental results of laser sputtering of cesium and rubidium iodide secondary ions are presented. A TOF mass spectrometer, operating in linear mode, continuous extraction for positive or negative ions, was used for the analysis of (CsI)nCs+, (CsI)nI−, (RbI)nRb+ and (RbI)nI− ion emission as a function of the laser irradiance. Experimental data show that the cluster ion emission yields decrease exponentially with n, for all the laser irradiances applied. Theoretical analysis of the clusters structure was performed using density functional theory at the B3LYP/LACV3P level, for the positive and negative cluster series. A quasi-equilibrium evolution of the clusters is proposed to extract a parameter characteristic of the cluster recombination process: the effective temperature. The hypothesis of the atomic species’ recombination (during the expansion of a high density highly ionized cloud) leading to cluster formation is confirmed to some extent in a second set of experiments: the UV laser ablation of a mixed and non-mixed cesium iodide and potassium bromide targets. These experiments show that the emission yields contain contributions from both the recombination process and from the sample stoichiometry, even for high laser irradiances. 相似文献
3.
Kimin Hong Jungju Lee Jinhan Lee Young-Dong Ko Jin-Seok Chung Jin-Gyu Kim 《Journal of magnetism and magnetic materials》2006
We investigated the change of magnetic properties of the electroplated Cu/Co alloys and multilayers caused by organic additives and high temperature annealing. When plated with a pure Cu/Co electrolyte, the alloy contained ∼25% of Cu and ∼75% of Co. The alloy was made of hcp-Co, fcc-Co and Cu(1 1 1) and was super-paramagnetic at room temperature. As we add a few organic additives in the plating electrolyte, the hcp-Co of the films disappeared. The organic additives contained in the electrolytes changed paramagnetic Cu/Co multilayers to ferromagnets. High-temperature thermal annealing increased coercivity due to the growth of the Co grains. 相似文献
4.
Nickel and cobalt films illustrate alternative Bloch lines with cap switches. The strip magnetic domains become zigzag and bubbling cells for Ni and Co films, respectively, under an external field of 1.5 T. The magnetoresistances (MR) for currents parallel (CIW) to the domain walls is 15% less than those of the perpendicular (CPW) case. We also studied the magneto size effect by applying the magnetic field normal to the surface, from which the Sondheimer oscillation appears attributing to periodic striking of the surface for electrons traveling in circular motion on a plane canting to the surface. The experiments can be expressed by the magneto size effect inherited with very small specularity parameters. 相似文献
5.
F. Despa R. S. Berry 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,24(1-3):37-40
Interpretive theoretical tools prove valuable in guiding
the analysis of experiments in the realm of atomic clusters.
Here, we review basic elements of an analytic approach that
makes it possible to find and visualize the effective
electrostatic potential and Coulomb correlations in multicenter
problems. To illustrate the utility of these concepts we apply
them to exploring molecular-doped metallic clusters. This study
is aiming at a systematic, visual assessment of changes induced
in screening, Coulomb correlation and effective potential by
varying the charge of the electronegative impurity and its
position in the cluster cage. 相似文献
6.
Ru Ju Wang Feng Ying LiTing Zhang Deng Ji Fang WangHong Chen Chang Qing Jin 《Solid State Communications》2003,127(1):47-50
Using pulse echo overlap measurement, the elastic behavior of amorphous carbon has been studied at ambient and low temperatures. The smaller ratio B/G of the bulk modulus to shear modulus and smaller Poisson's ratio σ at room temperature indicate that there is an intrinsic stiffening of transverse acoustic phonons in the amorphous carbon. The acoustic velocity and attenuation for longitudinal modes have been measured between 2.1 and 300 K at three frequencies of 7, 21 and 35 MHz, respectively. Their frequency and temperature dependence are observed. The elastic constant C11 increases with decreasing temperature and show enhanced stiffening at low temperatures. In the 130-220 K region, the abnormal change and effect of longitudinal velocity and attenuation with temperature and frequency, and a phase transition associated with structure relaxations are discussed. 相似文献
7.
R. Cressely V. Hartmann 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,6(1):57-62
In this experimental work we carefully investigate the rheological behaviour and in particular the shear thickening exhibited
by aqueous micellar solutions of CTAB with NaSal as added counterion. We are particularly interested in the evolution of the
critical shear rate (at which shear thickening occurs) versus
C
D
, the surfactant concentration. We show that , at fixed salt concentration C
S
, increases with C
D
following a power law evolution with a positive exponent of + 5.8. On the other hand we show that if the ratio C
D
/ C
S
is fixed, decreases with C
D
with a negative exponent of -2.0. Nevertheless investigations of the zero shear viscosity indicate that in all situations (implying variation of the surfactant concentration C
D
, or the salt concentration C
S
or the temperature) is a decreasing function of the length of the micelles. All these evolutions are compatible with a gelation mechanism which
could possibly be associated with entanglement effects of large interacting flowing structures.
Received: 3 March 1998 / Revised: 16 June 1998 / Accepted: 3 July 1998 相似文献
8.
9.
The ohmic contact characteristics of Au/Pt/Ti on degenerated doped n-GaAs were evaluated. Structural and electrical properties
were studied by means of X-ray diffraction (XRD), Auger Energy Spectrum (AES) and a HP4145B parameter analyzer. The structural
analysis revealed a TiAs phase in the interface between metal multilayer and GaAs at higher annealing temperatures. Electrical
measurement showed a minimum ohmic contact resistance of 3×10-4 Ω cm2. The dominant current mechanism was found to be thermionic emission with a barrier height of Φb, of 0.09 V by comparing the experimental data with different theoretical models.
Received: 14 December 2001 / Accepted: 4 April 2002 / Published online: 22 November 2002
RID="*"
ID="*"Corresponding author. Fax: +86-21/6226-4397, E-mail: zhoujian999@163.net 相似文献
10.
Robert Morel Ariel BrenacCéline Portemont Thierry DeutschLucien Notin 《Journal of magnetism and magnetic materials》2007
Magnetic anisotropy has been measured in multiply twinned, icosahedral cobalt clusters. It is found that the low-temperature magnetization of deposited cluster layers is well defined with the Stoner–Wohlfarth model by averaging over clusters with a range of anisotropy energy. Anisotropy energy calculation based on Néel's pair model shows that the icosahedral structure and the layer-by-layer growth of the clusters induce oscillations of the magnetic anisotropy as a function of the filling of the outer surface of the particle. The magnetization measurement at room temperature indicates a weakly correlated cluster glass, as deduced from the approach to saturation that is well described with 2D random anisotropy model. 相似文献