相关论文: The AiiDA-KKR plugin and its application to high-t…
Defects which appear in heterostructure junctions involving topological insulators are sources of gapless modes governing the low energy properties of the systems, as recently elucidated by Teo and Kane [Physical Review B82, 115120 (2010)].…
We analyze the single-channel Kondo model using the recently developed unitary renormalization group (URG) method, and obtain a comprehensive understanding of the Kondo screening cloud. The fixed-point low-energy Hamiltonian enables the…
Nb-substituting Fe impurity in KNbO3 is studied in first-principles supercell calculations by the linear muffin-tin orbital method. Possible ways to account for the impurity charge compensation are discussed. Calculations are done in the…
ITER as the next-level fusion device is intended to reliably produce more fusion power than required for sustainably heating its plasma. Modeling has been an essential part of the ITER design and for planning of future experimental…
This article focuses on the mathematical problem of reconstructing dynamic permeability $K(\omega)$ of two-phase composites from data at different frequencies, utilizing the analytic structure of the Stieltjes function representation of…
Melting properties are critical for designing novel materials, especially for discovering high-performance, high-melting refractory materials. Experimental measurements of these properties are extremely challenging due to their high melting…
Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work,…
Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications ranging from solar photovoltaics to infrared lasers. While these…
The ability to predict the likelihood of impurity incorporation and their electronic energy levels in semiconductors is crucial for controlling its conductivity, and thus the semiconductor's performance in solar cells, photodiodes, and…
We study Kondo physics of a spin-$\frac{1}{2}$ impurity in electronic matter with strong spin-orbit interaction, which can be realized by depositing magnetic adatoms on the surface of a three-dimensional topological insulator. We show that…
The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of time evolution and measurements are well known, many state preparation methods are strongly…
During disruptions in fusion-grade tokamaks like ITER, large electric fields are induced following the thermal quench (TQ) period which can generate a substantial amount of Runaway Electrons (REs) that can carry up to 10 MA current with…
The integration of aerodynamic drag is a fundamental step in simulating dust dynamics in hydrodynamical simulations. We propose a novel integration scheme, designed to be compatible with Strang splitting techniques, which allows for the…
Quantum systems can be used as probes in the context of metrology for enhanced parameter estimation. In particular, the delicacy of critical systems to perturbations can make them ideal sensors. Arguably the simplest realistic probe system…
In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method…
We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson…
An exactly solvable one-dimensional Hubbard model with a single Anderson impurity embedded at the boundary is constructed in the framework of the quantum inverse scattering method. The model is solved exactly by the nested Bethe ansatz…
A new method is proposed for practical calculation of the effective interaction between impurity scatterers in superconductors, based on algebraic properties of related Nambu matrices for Green functions. In particular, we show that the…
The impurity density in high-purity germanium detectors is crucial to understand and simulate such detectors. However, the information about the impurities provided by the manufacturer, based on Hall effect measurements, is typically…
This study presents a novel mixed-precision iterative refinement algorithm, GADI-IR, within the general alternating-direction implicit (GADI) framework, designed for efficiently solving large-scale sparse linear systems. By employing…