Related papers: Multifractality of ab initio wave functions in dop…
In the paper, we investigate the fine multifractal spectrum of a class of self-affine Moran sets with fixed frequencies, and we prove that under certain separation conditions, the fine multifractal spectrum $H(\alpha)$ is given by the…
The AdS/CFT correspondence between conformal field theory and string states in an extended space-time has provided new insights into not only hadron spectra, but also their light-front wavefunctions. We show that there is an exact…
We present a novel methodology to compute relaxed dislocations core configurations, and their energies in crystalline metallic materials using large-scale \emph{ab-intio} simulations. The approach is based on MacroDFT, a coarse-grained…
First-principles simulations of electronic properties of hybrid inorganic/organic interfaces are challenging, as common density-functional theory (DFT) approximations target specific material classes like bulk semiconductors or gas-phase…
Silicon quantum computing has the potential to revolutionize technology with capabilities to solve real-life problems that are computationally complex or even intractable for modern computers [1] by offering sufficient high quality qubits…
This study presents a refined approach to computing the electronic structure of indium antimonide (InSb) using advanced \textit{ab initio} techniques with the In and Sb $4d^{10}$ semicore electrons included in the valence states. These…
Double hybrid density functional theory arguably sits on the seamline between wavefunction methods and DFT: it represents a special case of Rung 5 on the "Jacobs Ladder" of John P. Perdew. For large and chemically diverse benchmarks such as…
The dynamical susceptibility of strongly correlated electronic systems can be calculated within the framework of the dynamical mean-field theory (DMFT). The required measurement of the four-point vertex of the auxiliary impurity model is…
Electron tunneling experiments are used to probe Coulomb correlation effects in the single-particle density-of-states (DOS) of boron-doped silicon crystals near the critical density of the metal-insulator transition (MIT). At low energies,…
Quasiperiodic moir\'e materials provide a new platform for realizing critical electronic states, yet a direct and experimentally practical method to characterize this criticality has been lacking. We show that a multifractal analysis of the…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…
We prove a complete realization theorem for multifractal entropy spectra of continuous potentials on a broad class of dynamical systems. More precisely, for every $H>0$ and every continuous concave function on a compact interval with…
We investigate a quantum dot (Anderson impurity) coupled to metallic leads, with a time-periodic voltage bias across the device. Using a time-dependent Schrieffer-Wolff transformation, we show that the Floquet Hamiltonian of the model can…
We consider the orthogonality catastrophe at the Anderson Metal-Insulator transition (AMIT). The typical overlap $F$ between the ground state of a Fermi liquid and the one of the same system with an added potential impurity is found to…
We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We compute the electronic band structures, phonon dispersion…
A review is given on the theory of metal-insulator transitions (MIT) in doped semiconductors. We focus in particular on reviewing theories of their anomalous magnetic properties, which emerge from the interplay of spin and charge…
A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped…
Ultra-scaled FinFET transistors bear unique fingerprint-like device-to-device differences attributed to random single impurities. This paper describes how, through correlation of experimental data with multimillion atom tight-binding…
The Anderson model for a magnetic impurity in a one-dimensional quasicrystal is studied using the numerical renormalization group (NRG). The main focus is elucidating the physics at the critical point of the Aubry-Andre (AA) Hamiltonian,…