Related papers: Systematic Study of Electron Localization in an Am…
Motivated by recent advances in the realization of Truchet-tiling structures in molecular networks and metal-organic frameworks, we investigate the wave localization issue in this kind of structure. We introduce an electron model based on…
We investigate the characteristic spin dynamics corresponding to semiconductor quantum dots within the multiband envelope function approximation (EFA). By numerically solving an $8\times8$ $k\cdot p$ Hamiltonian we treat systems based on…
Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon coupling in superionic conductors. Using the example of cubic…
In this study, we perform a detailed investigation into the interplay between disorder-induced electron localization and long-range hopping amplitudes within the Selective Long-Range Tight-Binding Model (SLRTB). Through numerical…
We consider a mesoscopic {\it ballistic} structure with Rashba spin-orbit splitting of the electron spectrum. The ballistic region is attached to the leads with a voltage applied between them. We calculate the edge spin density which…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
We have proposed and demonstrated an effective scheme to steer both the electronic and molecular motions of hydrogen molecule and its isotopes. Our scheme lies in the idea of sub-cycle waveform shaping (SWS) with synthesizing coherent IR…
Electrical conductivity of one-dimensional (1d) disordered solids decays exponentially with their length, which is a celebrated manifestation of the localization phenomenon. Here, we study the modifications of localized conductivity induced…
We study the electronic properties of the $\textrm{Fe}\textrm{Se}_{1-x}\textrm{Te}_x$ system ($x=0$, 0.25, 0.5, 0.75, and 1) from the perspective of X-ray spectroscopy and density functional theory (DFT). The analysis performed on the…
Kohn-Sham density functional theory (DFT) has long struggled with the accurate description of strongly correlated and open shell systems and improvements have been minor even in the newest hybrid functionals. In this Letter we treat the…
The collective reorganization of electrons into a charge density wave has long served as a textbook example of an ordered phase in condensed matter physics. Two-dimensional square lattices with $p$ electrons are well-suited to the…
Fluctuations of electric fields can change the position of a gate-defined quantum dot in a semiconductor heterostructure. In the presence of magnetic field gradient, these stochastic shifts of electron's wavefunction lead to fluctuations of…
The Wigner localization is an electron phase at low densities when the electrons are sharply localized around equilibrium positions. The simulation of the Wigner localization phenomenon requires careful treatment of the many-body…
We study a partially disordered one-dimensional system with interacting particles. Concretely, we impose a disorder potential to only every other site, followed by a clean site. Our numerical analysis of eigenstate properties is based on…
First theoretical and numerical results on the global structure of the energy shell, the Green function spectra and the eigenfunctions, both localized and ergodic, in a generic conservative quantum system are presented. In case of quantum…
The electronic structure of UPd_2Al_3 is described using the self-interaction corrected local-spin-density approximation to density functional theory. The groundstate is found to be characterized by the coexistence of localized (f^2) and…
Spontaneous strain localization occurs during mechanical tests of a model amorphous solid simulated using molecular dynamics. The degree of localization depends upon the extent of structural relaxation prior to mechanical testing. In the…
We consider the spectral properties of aperiodic block subwavelength resonator systems in one dimension, with a primary focus on the density of states. We prove that for random block configurations, as the number of blocks $M\to \infty$,…
We study electronic properties as a function of the six types of local environments found in the octagonal tiling. The density of states has six characteristic forms, although the detailed structure differs from site to site since no two…
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…