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Marcel Filoche

Publications and source records attributed to Marcel Filoche.

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Sharp estimates for the integrated density of states in Anderson tight-binding models

Recent work [G. David, M. Filoche, and S. Mayboroda, arXiv:1909.10558[Adv. Math. (to be published)]] has proved the existence of bounds from above and below for the Integrated Density of States (IDOS) of the Schrödinger operator throughout the spectrum, called the landscape law. These bounds involve dimensional constants whose optimal values are yet to be determined. Here, we investigate the accuracy of the landscape law in 1D and 2D tight-binding Anderson models, with binary or uniform random distributions. We show, in particular, that in 1D, the IDOS can be approximated with high accuracy through a single formula involving a remarkably simple multiplicative energy shift. In 2D, the same idea applies but the prefactor has to be changed between the bottom and top parts of the spectrum.

math-ph

The landscape law for tight binding Hamiltonians

The present paper extends the landscape theory pioneered in [FM, ADFJM2, DFM] to the tight-binding Schrödinger operator on $\Z^d$. In particular, we establish upper and lower bounds for the integrated density of states in terms of the counting function based upon the localization landscape.

math-ph

The landscape law for the integrated density of states

The present paper establishes non-asymptotic estimates from above and below on the integrated density of states of the Schrödinger operator $L=-Δ+V$, using a counting function for the minima of the localization landscape, a solution to the equation $Lu=1$.

math.AP

The effective potential of an $M$-matrix

In the presence of a confining potential $V$, the eigenfunctions of a continuous Schrödinger operator $-Δ+V$ decay exponentially with the rate governed by the part of $V$ which is above the corresponding eigenvalue; this can be quantified by a method of Agmon. Analogous localization properties can also be established for the eigenvectors of a discrete Schrödinger matrix. This note shows, perhaps surprisingly, that one can replace a discrete Schrödinger matrix by \emph{any} real symmetric $Z$-matrix and still obtain eigenvector localization estimates. In the case of a real symmetric non-singular $M$-matrix $A$ (which is a situation that arises in several contexts, including random matrix theory and statistical physics), the \emph{landscape function} $u = A^{-1} 1$ plays the role of an effective potential of localization. Starting from this potential, one can create an Agmon-type distance function governing the exponential decay of the eigenfunctions away from the "wells" of the potential, a typical eigenfunction being localized to a single such well.

math-ph

Universality of fold-encoded localized vibrations in enzymes

Enzymes speed up biochemical reactions at the core of life by as much as 15 orders of magnitude. Yet, despite considerable advances, the fine dynamical determinants at the microscopic level of their catalytic proficiency are still elusive. In this work, we use a powerful mathematical approach to show that rate-promoting vibrations in the picosecond range, specifically encoded in the 3D protein structure, are localized vibrations optimally coupled to the chemical reaction coordinates at the active site. The universality of these features is demonstrated on a pool of more than 900 enzyme structures, comprising a total of more than 10,000 experimentally annotated catalytic sites. Our theory provides a natural microscopic rationale for the known subtle structural compactness of active sites in enzymes.

physics.bio-ph

Localization of eigenfunctions via an effective potential

We consider the localization of eigenfunctions for the operator $L=-\mbox{div} A \nabla + V$ on a Lipschitz domain $Ω$ and, more generally, on manifolds with and without boundary. In earlier work, two authors of the present paper demonstrated the remarkable ability of the landscape, defined as the solution to $Lu=1$, to predict the location of the localized eigenfunctions. Here, we explain and justify a new framework that reveals a richly detailed portrait of the eigenfunctions and eigenvalues. We show that the reciprocal of the landscape function, $1/u$, acts as an effective potential. Hence from the single measurement of $u$, we obtain, via $1/u$, explicit bounds on the exponential decay of the eigenfunctions of the system and estimates on the distribution of eigenvalues near the bottom of the spectrum. (This version strengthens and simplifies the results of the first one by replacing a global bi-Lipschitz hypothesis on the domain with a local bi-Lipschitz hypothesis. It improves on the second version by adding pictures and numerical examples. This version is identical to the third version; all that is changed is to correct some tex mistakes in symbols in this abstract. There are no changes to the paper itself.)

math.AP

Computing spectra without solving eigenvalue problems

The approximation of the eigenvalues and eigenfunctions of an elliptic operator is a key computational task in many areas of applied mathematics and computational physics. An important case, especially in quantum physics, is the computation of the spectrum of a Schrödinger operator with a disordered potential. Unlike plane waves or Bloch waves that arise as Schrödinger eigenfunctions for periodic and other ordered potentials, for many forms of disordered potentials the eigenfunctions remain essentially localized in a very small subset of the initial domain. A celebrated example is Anderson localization, for which, in a continuous version, the potential is a piecewise constant function on a uniform grid whose values are sampled independently from a uniform random distribution. We present here a new method for approximating the eigenvalues and the subregions which support such localized eigenfunctions. This approach is based on the recent theoretical tools of the localization landscape and effective potential. The approach is deterministic, predicting quantities that depend sensitively on the particular realization, rather than furnishing statistical or probabilistic results about the spectrum associated to a family of potentials with a certain distribution. These methods, which have only been partially justified theoretically, enable the calculation of the locations and shapes of the approximate supports of the eigenfunctions, the approximate values of many of the eigenvalues, and of the eigenvalue counting function and density of states, all at the cost of solving a single source problem for the same elliptic operator. We study the effectiveness and limitations of the approach through extensive computations in one and two dimensions, using a variety of piecewise constant potentials with values sampled from various different correlated or uncorrelated random distributions.

math.NA

Localization landscape theory of disorder in semiconductors I: Theory and modeling

We present here a model of carrier distribution and transport in semiconductor alloys accounting for quantum localization effects in disordered materials. This model is based on the recent development of a mathematical theory of quantum localization which introduces for each type of carrier a spatial function called \emph{localization landscape}. These landscapes allow us to predict the localization regions of electron and hole quantum states, their corresponding energies, and the local densities of states. We show how the various outputs of these landscapes can be directly implemented into a drift-diffusion model of carrier transport and into the calculation of absorption/emission transitions. This creates a new computational model which accounts for disorder localization effects while also capturing two major effects of quantum mechanics, namely the reduction of barrier height (tunneling effect), and the raising of energy ground states (quantum confinement effect), without having to solve the Schrödinger equation. Finally, this model is applied to several one-dimensional structures such as single quantum wells, ordered and disordered superlattices, or multi-quantum wells, where comparisons with exact Schrödinger calculations demonstrate the excellent accuracy of the approximation provided by the landscape theory.

cond-mat.mtrl-sci

Localization landscape theory of disorder in semiconductors II: Urbach tails of disordered quantum well layers

Urbach tails in semiconductors are often associated to effects of compositional disorder. The Urbach tail observed in InGaN alloy quantum wells of solar cells and LEDs by biased photocurrent spectroscopy is shown to be characteristic of the ternary alloy disorder. The broadening of the absorption edge observed for quantum wells emitting from violet to green (indium content ranging from 0 to 28\%) corresponds to a typical Urbach energy of 20~meV. A 3D absorption model is developed based on a recent theory of disorder-induced localization which provides the effective potential seen by the localized carriers without having to resort to the solution of the Schrödinger equation in a disordered potential. This model incorporating compositional disorder accounts well for the experimental broadening of the Urbach tail of the absorption edge. For energies below the Urbach tail of the InGaN quantum wells, type-II well-to-barrier transitions are observed and modeled. This contribution to the below bandgap absorption is particularly efficient in near-UV emitting quantum wells. When reverse biasing the device, the well-to-barrier below bandgap absorption exhibits a red shift, while the Urbach tail corresponding to the absorption within the quantum wells is blue shifted, due to the partial compensation of the internal piezoelectric fields by the external bias. The good agreement between the measured Urbach tail and its modeling by the new localization theory demonstrates the applicability of the latter to compositional disorder effects in nitride semiconductors.

cond-mat.mtrl-sci

Localization landscape theory of disorder in semiconductors. III. Application to carrier transport and recombination in light emitting diodes

This paper introduces a novel method to account for quantum disorder effects into the classical drift-diffusion model of semiconductor transport through the localization landscape theory. Quantum confinement and quantum tunneling in the disordered system change dramatically the energy barriers acting on the perpendicular transport of heterostructures. In addition they lead to percolative transport through paths of minimal energy in the 2D landscape of disordered energies of multiple 2D quantum wells. This model solves the carrier dynamics with quantum effects self-consistently and provides a computationally much faster solver when compared with the Schrödinger equation resolution. The theory also provides a good approximation to the density of states for the disordered system over the full range of energies required to account for transport at room-temperature. The current-voltage characteristics modeled by 3-D simulation of a full nitride-based light-emitting diode (LED) structure with compositional material fluctuations closely match the experimental behavior of high quality blue LEDs. The model allows also a fine analysis of the quantum effects involved in carrier transport through such complex heterostructures. Finally, details of carrier population and recombination in the different quantum wells are given.

cond-mat.mtrl-sci

One single static measurement predicts wave localization in complex structures

A recent theoretical breakthrough has brought a new tool, called \emph{localization landscape}, to predict the localization regions of vibration modes in complex or disordered systems. Here, we report on the first experiment which measures the localization landscape and demonstrates its predictive power. Holographic measurement of the static deformation under uniform load of a thin plate with complex geometry provides direct access to the landscape function. When put in vibration, this system shows modes precisely confined within the sub-regions delineated by the landscape function. Also the maxima of this function match the measured eigenfrequencies, while the minima of the valley network gives the frequencies at which modes become extended. This approach fully characterizes the low frequency spectrum of a complex structure from a single static measurement. It paves the way to the control and engineering of eigenmodes in any vibratory system, especially where a structural or microscopic description is not accessible.

cond-mat.dis-nn

Effective confining potential of quantum states in disordered media

The amplitude of localized quantum states in random or disordered media may exhibit long range exponential decay. We present here a theory that unveils the existence of an effective potential which finely governs the confinement of these states. In this picture, the boundaries of the localization subregions for low energy eigenfunctions correspond to the barriers of this effective potential, and the long range exponential decay characteristic of Anderson localization is explained as the consequence of multiple tunneling in the dense network of barriers created by this effective potential. Finally, we show that the Weyl's formula based on this potential turns out to be a remarkable approximation of the density of states for a large variety of one-dimensional systems, periodic or random.

cond-mat.dis-nn

Dual hidden landscapes in Anderson localization on discrete lattices

The localization subregions of stationary waves in continuous disordered media have been recently demonstrated to be governed by a hidden landscape that is the solution of a Dirichlet problem expressed with the wave operator. In this theory, the strength of Anderson localization confinement is determined by this landscape, and continuously decreases as the energy increases. However, this picture has to be changed in discrete lattices in which the eigenmodes close to the edge of the first Brillouin zone are as localized as the low energy ones. Here we show that in a 1D discrete lattice, the localization of low and high energy modes is governed by two different landscapes, the high energy landscape being the solution of a dual Dirichlet problem deduced from the low energy one using the symmetries of the Hamiltonian. We illustrate this feature using the one-dimensional tight-binding Hamiltonian with random on-site potentials as a prototype model. Moreover we show that, besides unveiling the subregions of Anderson localization, these dual landscapes also provide an accurate overal estimate of the localization length over the energy spectrum, especially in the weak disorder regime.

cond-mat.dis-nn

A free boundary problem for the localization of eigenfunctions

We study a variant of the Alt, Caffarelli, and Friedman free boundary problem with many phases and a slightly different volume term, which we originally designed to guess the localization of eigenfunctions of a Schrödinger operator in a domain. We prove Lipschitz bounds for the functions and some nondegeneracy and regularity properties for the domains.

math.CA

The Hidden Landscape of Localization

Wave localization occurs in all types of vibrating systems, in acoustics, mechanics, optics, or quantum physics. It arises either in systems of irregular geometry (weak localization) or in disordered systems (Anderson localization). We present here a general theory that explains how the system geometry and the wave operator interplay to give rise to a "landscape" that splits the system into weakly coupled subregions, and how these regions shape the spatial distribution of the vibrational eigenmodes. This theory holds in any dimension, for any domain shape, and for all operators deriving from an energy form. It encompasses both weak and Anderson localizations in the same mathematical frame and shows, in particular, that Anderson localization can be understood as a special case of weak localization in a very rough landscape.

cond-mat.dis-nn

Optimal branching asymmetry of hydrodynamic pulsatile trees

Most of the studies on optimal transport are done for steady state regime conditions. Yet, there exists numerous examples in living systems where supply tree networks have to deliver products in a limited time due to the pulsatile character of the flow. This is the case for mammals respiration for which air has to reach the gas exchange units before the start of expiration. We report here that introducing a systematic branching asymmetry allows to reduce the average delivery time of the products. It simultaneously increases its robustness against the unevitable variability of sizes related to morphogenesis. We then apply this approach to the human tracheobronchial tree. We show that in this case all extremities are supplied with fresh air, provided that the asymmetry is smaller than a critical threshold which happens to fit with the asymmetry measured in the human lung. This could indicate that the structure is adjusted at the maximum asymmetry level that allows to feed all terminal units with fresh air.

cond-mat.stat-mech