相关论文: Electronic structure of semiconductor nanostructur…

We investigate the localization of electronic states in the integer quantum Hall effect using a magnetic localization landscape (MLL) approach. By studying a continuum Schr\"odinger model with disordered electrostatic potential, we…

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…

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…

The presence of disorder in semiconductors can dramatically change their physical properties. Yet, models faithfully accounting for it are still scarce and computationally inefficient. We present a mathematical and computational model able…

While Anderson localisation is largely well-understood, its description has traditionally been rather cumbersome. A recently-developed theory -- Localisation Landscape Theory (LLT) -- has unparalleled strengths and advantages, both…

We show how the localization landscape, originally introduced to bound low energy eigenstates of disordered wave media and many-body quantum systems, can form the basis for hardware-efficient quantum algorithms for solving binary…

The localization landscape gives direct access to the localization of bottom-of-band eigenstates in non-interacting disordered systems. We generalize this approach to eigenstates at arbitrary energies in systems with or without internal…

For a Hamiltonian ${\hat H}$ containing a position-dependent (disordered) potential, we introduce a sequence of landscape functions $u_n(\vec{r})$ obeying ${\hat H} u_n(\vec{r}) = u_{n-1}(\vec{r})$ with $u_0(\vec{r}) = 1$. For $n \to…

We present a detailed theoretical analysis of the electronic structure of $c$-plane InGaN/GaN quantum wells with indium contents varying between 10\% and 25\%. The electronic structure of the quantum wells is treated by means of an…

Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…

The $L^2$ localisation landscape of L. Herviou and J. H. Bardarson is a generalisation of the localisation landscape of M. Filoche and S. Mayboroda. We propose a stochastic method to compute the $L^2$ localisation landscape that enables the…

Localization of electronic wave functions in modern two-dimensional (2D) materials such as graphene can impact drastically their transport and magnetic properties. The recent localization landscape (LL) theory has brought many tools and…

We propose a generalization of the Filoche--Mayboroda localization landscape that extends the theory well beyond the static, elliptic and Hermitian settings while preserving its geometric interpretability. Using the positive operator…

We propose an efficient reduced-order technique for electronic structure calculations of semiconductor nanostructures, suited for inclusion in full-band quantum transport simulators. The model is based on the linear combination of bulk…

Manipulating energy levels while controlling the electron localization is an essential step for many applications of confined systems. In this paper we demonstrate how to achieve electron localization and induce energy level oscillation in…

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

The electronic structure of nanowires in contact with metallic electrodes of experimentally relevant sizes is calculated by incorporating the electrostatic polarization potential into the atomistic single particle Schr\"odinger equation. We…

The iterative diagonalization of a sequence of large ill-conditioned generalized eigenvalue problems is a computational bottleneck in quantum mechanical methods employing a nonorthogonal basis for {\em ab initio} electronic structure…

A model Hamiltonian is proposed in order to understand the localization-delocalization transition in a quantum dot, where there are two gate voltages: top and side. Considering energetically favorable degrees of freedom only, we achieve a…

We present a novel energy-based localization procedure able to localize molecular orbitals into specific spatial regions. The method is applied to several cases including both conjugated and non-conjugated systems. The obtained localized…