Phase Diagram for Anderson Disorder: beyond Single-Parameter Scaling

The Anderson model for independent electrons in a disordered potential is transformed analytically and exactly to a basis of random extended states leading to a variant of augmented space. In addition to the widely-accepted phase diagrams in all physical dimensions, a plethora of additional, weaker Anderson transitions are found, characterized by the long-distance behavior of states. Critical disorders are found for Anderson transitions at which the asymptotically dominant sector of augmented space changes for all states at the same disorder. At fixed disorder, critical energies are also found at which the localization properties of states are singular. Under the approximation of single-parameter scaling, this phase diagram reduces to the widely-accepted one in 1, 2 and 3 dimensions. In two dimensions, in addition to the Anderson transition at infinitesimal disorder, there is a transition between two localized states, characterized by a change in the nature of wave function decay.Comment: 51 pages including 4 figures, revised 30 November 200

Echolocation by Quasiparticles

It is shown that the local density of states (LDOS), measured in an Scanning Tunneling Microscopy (STM) experiment, at a single tip position contains oscillations as a function of Energy, due to quasiparticle interference, which is related to the positions of nearby scatterers. We propose a method of STM data analysis based on this idea, which can be used to locate the scatterers. In the case of a superconductor, the method can potentially distinguish the nature of the scattering by a particular impurity.Comment: 4+ page

Local density of states of a d-wave superconductor with inhomogeneous antiferromagnetic correlations

The tunneling spectrum of an inhomogeneously doped extended Hubbard model is calculated at the mean field level. Self-consistent solutions admit both superconducting and antiferromagnetic order, which coexist inhomogeneously because of spatial randomness in the doping. The calculations find that, as a function of doping, there is a continuous cross over from a disordered ``pinned smectic'' state to a relatively homogeneous d-wave state with pockets of antiferromagnetic order. The density of states has a robust d-wave gap, and increasing antiferromagnetic correlations lead to a suppression of the coherence peaks. The spectra of isolated nanoscale antiferromagnetic domains are studied in detail, and are found to be very different from those of macroscopic antiferromagnets. Although no single set of model parameters reproduces all details of the experimental spectrum in BSCCO, many features, notably the collapse of the coherence peaks and the occurence of a low-energy shoulder in the local spectrum, occur naturally in these calculations.Comment: 9 pages, 5 figure

On the Absence of Spurious Eigenstates in an Iterative Algorithm Proposed By Waxman

We discuss a remarkable property of an iterative algorithm for eigenvalue problems recently advanced by Waxman that constitutes a clear advantage over other iterative procedures. In quantum mechanics, as well as in other fields, it is often necessary to deal with operators exhibiting both a continuum and a discrete spectrum. For this kind of operators, the problem of identifying spurious eigenpairs which appear in iterative algorithms like the Lanczos algorithm does not occur in the algorithm proposed by Waxman

Krylov Subspace Method for Molecular Dynamics Simulation based on Large-Scale Electronic Structure Theory

For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the essential character of the Hamiltonian within a limited number of basis set. Its validation is confirmed by the convergence property of the density matrix within the subspace. The following quantities are calculated; energy, force, density of states, and energy spectrum. Molecular dynamics simulation of Si(001) surface reconstruction is examined as an example, and the results reproduce the mechanism of asymmetric surface dimer.Comment: 7 pages, 3 figures; corrected typos; to be published in Journal of the Phys. Soc. of Japa

Density Matrix Perturbation Theory

An expansion method for perturbation of the zero temperature grand canonical density matrix is introduced. The method achieves quadratically convergent recursions that yield the response of the zero temperature density matrix upon variation of the Hamiltonian. The technique allows treatment of embedded quantum subsystems with a computational cost scaling linearly with the size of the perturbed region, O(N_pert.), and as O(1) with the total system size. It also allows direct computation of the density matrix response functions to any order with linear scaling effort. Energy expressions to 4th order based on only first and second order density matrix response are given.Comment: 4 pages, 2 figure

Homogenization of Maxwell's equations in periodic composites

We consider the problem of homogenizing the Maxwell equations for periodic composites. The analysis is based on Bloch-Floquet theory. We calculate explicitly the reflection coefficient for a half-space, and derive and implement a computationally-efficient continued-fraction expansion for the effective permittivity. Our results are illustrated by numerical computations for the case of two-dimensional systems. The homogenization theory of this paper is designed to predict various physically-measurable quantities rather than to simply approximate certain coefficients in a PDE.Comment: Significantly expanded compared to v1. Accepted to Phys.Rev.E. Some color figures in this preprint may be easier to read because here we utilize solid color lines, which are indistinguishable in black-and-white printin

Implications of solar flare hard X-ray "knee" spectra observed by RHESSI

We analyse the RHESSI photon spectra of four flares that exhibit significant deviations from power laws - i.e. changes in the "local" Hard X-ray spectral index. These spectra are characterised by two regions of constant power law index connected by a region of changing spectral index - the "knee". We develop theoretical and numerical methods of describing such knees in terms of variable photon spectral indices and we study the results of their inversions for source mean thin target and collisional thick target injection electron spectra. We show that a particularly sharp knee can produce unphysical negative values in the electron spectra, and we derive inequalities that can be used to test for this without the need for an inversion to be performed. Such unphysical features would indicate that source model assumptions were being violated, particularly strongly for the collisional thick target model which assumes a specific form for electron energy loss. For all four flares considered here we find that the knees do not correspond to unphysical electron spectra. In the three flares that have downward knees we conclude that the knee can be explained in terms of transport effects through a region of non-uniform ionisation. In the other flare, which has an upward knee, we conclude that it is most likely a feature of the accelerated spectrum