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71.
对形如Nt×Nl型准二维无序系统,只考虑格点之间的最近邻跳跃积分,采用特殊的格点编号方案,在单电子近似下,系统的哈密顿量可表示为简明对称矩阵,借助豪斯荷尔德变换将其约化为对称三对角矩阵,再利用负本征值理论及传输矩阵等方法,对系统态密度、局域长度及电导等电子结构特性进行数值计算. 重点研究了准一维四平行链和五平行链无序系统, 将结果与一维单链、准一维双链及三链系统进行对比,发现随维度的增加,系统的能带有所展宽,能态密度分布发生很大的变化,其峰值数量呈偶数规律增加. 并且在能带中心处存在有局域长度大于系统大小的扩展态,处于这些态下的系统具有较大电导. 从单链到多链,相当于扩大了系统的关联范围,使系统出现了类似非对角长程关联的行为.
关键词:
准二维无序系统
态密度
局域长度
电导 相似文献
72.
73.
Summary An attempt is made to explain the masses of Z and W± bosons by means of a screening mechanism analogous to charge screening in metals. It considers the effect of the electroweak
force on the distribution of negativekinetic-energy neutrinos, which fills the whole universe (neutrino Fermi sea). The large
weak-boson masses appear to be a direct consequence of the vanishing neutrino mass. 相似文献
74.
Experiments employing photoreflectance spectroscopy have uncovered band bending due to electrically active defects at the Si(1 1 1)–SiO2 interface after sub-keV Ar+ ion bombardment. The band bending of about 0.5 eV resembles that for Si(1 0 0)–SiO2, and both interfaces exhibit two kinetic regimes for the evolution of band bending upon annealing due to defects healing. The healing takes place about an order of magnitude more quickly at the (1 1 1) interface, however, probably because of less fully saturated bonding and higher compressive stress. 相似文献
75.
D. M. Bhardwaj D. C. Jain S. Dalela Ravi Kumar N. L. Saini K. B. Garg 《Physica B: Condensed Matter》2004,350(4):366-374
We have made the XAFS measurements at the Cr–K-edge on natural Indian ruby single crystals (corundum) and its two irradiated samples with fluence 1×1012 Ni6+ and 5×1012 Ni6+ ions/cm2. Irradiated samples show interesting changes in their physical appearance. XANES measurements show progressive decrease in Δoct value on increase of Ni fluence in irradiated samples. EXAFS measurements on these samples show decrease in Cr–O distance on increase of Ni fluence. Lowering of Δoct value is correlated with the increase of Cr–O distance. 相似文献
76.
Marko D. Mihovilovic Bernhard Müller Markus Spina Arjumand I. Durrani Peter Stanetty Georg Dazinger Karl Kirchner 《Monatshefte für Chemie / Chemical Monthly》2006,137(6):785-794
Summary. Recombinant Escherichia coli overexpressing Pseudomonas sp. NCIMB 9872 cyclopentanone monooxygenase (CPMO, EC 1.14.13.16) and Acinetobacter sp. NCIMB 9871 cyclohexanone monooxygenase (CHMO, EC 1.14.13.22) have been utilized in whole-cell Baeyer-Villiger biotransformations of prochiral bicycloketones. A significant difference in substrate acceptance and stereoselectivity was
observed for bicyclo[3.3.0] and bicyclo[4.3.0] substrates. A plausible mechanism of these transformations was established
by means of high level DFT/B3LYP calculations suggesting an essential difference in electronic requirements for a successful
enzymatic conversion, which was similarly encountered in recombinant whole-cell mediated biooxidations. Some of the lactones
produced in the biocatalytic Baeyer-Villiger oxidation represent key intermediates for the synthesis of indole alkaloids. 相似文献
77.
Alfred Wünsche 《Annalen der Physik》1992,504(3):181-197
The eigenvalue problem for arbitrary linear combinations kα + μα? of a boson annihilation operator α and a boson creation operator α? is solved. It is shown that these operators possess nondegenerate eigenstates to arbitrary complex eigenvalues. The expansion of these eigenstates into the basic set of number states | n >, (n = 0, 1, 2, …), is found. The eigenstates are normalizable and are therefore states of a Hilbert space for | ζ | < 1 with ζ ? μ/k and represent in this case squeezed coherent states of minimal uncertainty product. They can be considered as states of a rigged Hilbert space for | ζ | ? 1. A completeness relation for these states is derived that generalizes the completeness relation for the coherent states | α 〉. Furthermore, it is shown that there exists a dual orthogonality in the entire set of these states and a connected dual completeness of the eigenstates on widely arbitrary paths over the complex plane of eigenvalues. This duality goes over into a selfduality of the eigenstates of the hermitian operators kα + k* α? to real eigenvalues. The usually as nonexistent considered eigenstates of the boson creation operator α? are obtained by a limiting procedure. They belong to the most singular case among the considered general class of eigenstates with ζ ? μ/k as a parameter. 相似文献
78.
The role of filamentation instability of quark-gluon plasma, in explaining collective phenomena in relativistic heavy-ion
collisions, has been analyzed. Using equations of SU(2) two fluid color hydrodynamics it is shown that this instability can
significantly enhance nuclear stopping and might contribute to collective sideward flows. 相似文献
79.
Michelle J. S. Spencer Andrew Hung Ian K. Snook Irene Yarovsky 《Surface science》2003,540(2-3):420-430
The adsorption of atomic S on the Fe(1 1 0) surface is examined using density functional theory (DFT). Three different adsorption sites are considered, including the atop, hollow and bridge sites and the S is adsorbed at a quarter monolayer coverage in a p(2 × 2) arrangement. The hollow site is found to be the most stable, followed by the bridge and atop sites. At all three sites, S adsorption results in relatively minor surface reconstruction, with the most significant being that for the hollow site, with lateral displacements of 0.09 Å. Comparisons between S-adsorbed and pure Fe surfaces revealed reductions in the magnetic moments of surface-layer Fe atoms in the vicinity of the S. At the hollow site, the presence of S causes an increase in the surface Fe d-orbital density of states between 4 and 5 eV. However, S adsorption has no significant effect on the structure and magnetic properties of the lower substrate layers. 相似文献
80.
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