Related papers: Systematic Study of Electron Localization in an Am…
Localization due to disorder has been one of the most intriguing theoretical concepts evolved in condensed matter. Here, we expand the theory of localization by considering two types of disorder at the same time, namely the original…
Understanding the structural origins of the properties of amorphous materials remains one of the most important challenges in structural science. In this study we demonstrate that local 'structural simplicity', embodied by the degree to…
Analysis of quantum dot structures is a current topic with important applications in solid-state digital logic design, quantum information technology and quantum optics. In this work, we show a variational formulation for the solution of…
Exact ground-state properties are presented by combining the diagonalization in the Fock space (and taking all hopping integrals and all two-site interactions) with the ab initio optimization of the Wannier functions. Electrons are…
Spin injection and detection in silicon is a difficult problem, in part because the weak spin-orbit coupling and indirect gap preclude using standard optical techniques. We propose two ways to overcome this difficulty, and illustrate their…
An extended around mean field (AMF) functional for less localized $p$ electrons is developed to quantify the influence of electronic correlations in $\alpha$-Ga. Both the local density approximation (LDA) and generalized gradient…
Silicene is becoming one of the most important two-dimensional materials. In this work, EEL Spectra were calculated for alfa-silicene (flat), and beta-silicene (low-buckled, and theoretically the most stable). Band structures were…
Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…
Using spin-density-functional theory, we study the electronic states of a two-dimensional parabolic quantum dot with up to N=58 electrons. We observe a shell structure for the filling of the dot with electrons. Hund's rule determines the…
The interrelation between spin and charge in semiconductors leads to interesting effects, e.g., the Rashba-type spin-orbit splitting or the exchange enhancement. These properties are proposed to be used in applications such as spin…
Motivated by current interest in disordered systems of interacting electrons, the effectiveness of the geometrically averaged density of states, $\rho_g(\omega)$, as an order parameter for the Anderson transition is examined. In the context…
Amorphous silicon (a-Si) models are analyzed for structural, electronic and vibrational characteristics. Several models of various sizes have been computationally fabricated for this analysis. It is shown that a recently developed…
It is argued that topological disorder in amorphous solids can be described by local strains related to local reference crystals and local rotations. An intuitive localization criterion is formulated from this point of view. The Inverse…
Electronic defects in semiconductors form the basis for many emerging quantum technologies. Understanding defect spin and charge dynamics in solid state platforms is crucial to developing these building blocks, but many defect centers are…
Zigzag edges of graphene nanostructures host localized electronic states that are predicted to be spin-polarized. However, these edge states are highly susceptible to edge roughness and interaction with a supporting substrate, complicating…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
Emerging experimental platforms use amorphousness, a constrained form of disorder, to tailor meta-material properties. We study localization under this type of disorder in a family of 2D models generalizing recent experiments on photonic…
We discovered novel Anderson localization behaviors of pseudospin systems in a 1D disordered potential. For a pseudospin-1 system, due to the absence of backscattering under normal incidence and the presence of a conical band structure, the…
We report a numerical study of Anderson localization in a 2D system of non-interacting electrons with spin-orbit coupling. We analyze the scaling of the renormalized localization length for the 2D SU(2) model and estimate its…
Quantum information measures are proposed to analyze the structure of near-gap electronic states in HgTe quantum wells in a strip geometry $(x,y)\in (-\infty,\infty)\times [0,L]$ of finite width $L$. This allows us to establish criteria for…