Related papers: A Crystallographic Metric for Continuous Quantific…
Point defects have a strong influence on the physical properties of materials, often dominating the electronic and optical behavior in semiconductors and insulators. The simulation and analysis of point defects is therefore crucial for…
The quantum metric, a key component of quantum geometry, plays a central role in a wide range of physical phenomena and has been extensively studied in periodic crystals and moir\'{e} materials. Here, we systematically investigate quantum…
We provide and discuss complex analytic methods for overcoming the formal character of formal deformation quantization. This is a necessity for returning to physically meaningful statements, and accounts for the fact that the formal…
We use the fidelity approach to quantum critical points to study the zero temperature phase diagram of the one-dimensional Hubbard model. Using a variety of analytical and numerical techniques, we analyze the fidelity metric in various…
Defects influence the properties and functionality of all crystalline materials. For instance, point defects participate in electronic (e.g. carrier generation and recombination) and optical (e.g. absorption and emission) processes critical…
We outline different approaches to define and quantify decoherence. We argue that a measure based on a properly defined norm of deviation of the density matrix is appropriate for quantifying decoherence in quantum registers. For a…
Reducing errors in quantum gates is critical to the development of quantum computers. To do so, any distortions in the control signals should be identified, however, conventional tools are not always applicable when part of the system is…
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
In this paper we consider nonlinearly elastic, frame-indifferent, and singularly perturbed two-well models for materials undergoing solid-solid phase transitions in any space dimensions, and we perform a simultaneous passage to…
In this work we demonstrate the robustness of a real-space approach for the treatment of infinite systems described with periodic boundary conditions that we have recently proposed [J. Phys. Chem. Lett. 17, 7090]. In our approach we extract…
In this review article fundamentals of aberration corrected phase contrast transmission electron microscopy for the structural characterization of materials at atomic length scale is presented. The word structure entails atomic arrangement…
This work represents the first chapter of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures. We are interested in the range of temperatures, where most electronic…
We provide a natural generalization of a Riemannian structure, i.e., a metric, recently introduced by Sj\"{o}qvist for the space of non degenerate density matrices, to the degenerate case, i.e., the case in which the eigenspaces have…
Many applications seek to measure a sample's absorption coefficient spectrum to retrieve the chemical makeup. Many real world samples are optically turbid, causing scattering confounds which many commercial spectrometers cannot address.…
We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our…
In a finite-time continuous phase transition, topological defects emerge as the system undergoes spontaneous symmetry breaking. The Kibble-Zurek mechanism predicts how the defect density scales with the quench rate. During such processes,…
Material functionality can be strongly determined by structure extending only over nanoscale distances. The pair distribution function presents an opportunity to shift structural studies beyond idealized crystal models and investigate…
A promising approach to study condensed-matter systems is to simulate them on an engineered quantum platform. However, achieving the accuracy needed to outperform classical methods has been an outstanding challenge. Here, using eighteen…
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this…
Fidelity approach has been widely used to detect various types of quantum phase transitions, including some that are beyond the Landau symmetry breaking theory, in condensed matter models. However, challenges remain in locating the…