相关论文: The AiiDA-KKR plugin and its application to high-t…
Ab initio calculations for the giant magnetoresistance (GMR) in Co/Cu, Fe/Cr, and Fe/Au multilayers are presented. The electronic structure of the multilayers and the scattering potentials of point defects therein are calculated…
Topological insulators exhibit gapless edge or surface states that are topologically protected by time-reversal symmetry. However, several promising candidates for topologically insulating materials (such as Bi$_2$Se$_3$ and HgTe) contain…
We study quantum impurity models as a platform for quantum thermometry. A single quantum spin-1/2 impurity is coupled to an explicit, structured, fermionic thermal environment which we refer to as the environment or bath. We critically…
Impurities embedded in electronic systems induce bound states which under certain circumstances can hybridize and lead to impurity bands. Doping of insulators with impurities has been identified as a promising route towards engineering…
Recently the authors developed a scattering approach that allows for a complete description of the steady-state physics of quantum-impurities in and out of equilibrium. Quantum impurities are described using scattering eigenstates defined…
A general technique to analyze the classical interaction between ideal topological insulators, and electromagnetic sources and fields, has been previously elaborated. Nevertheless it is not immediately applicable in the laboratory as it…
We propose an integrable model of the spin-1/2 Heisenberg chain coupled to two impurity moments. With the open boundary conditions at the impurity sites, the model can be exactly solved for arbitrary impurity spin and arbitrary exchange…
We propose a simple idea to construct 1D integrable models with impurities. We illustrate the strategy for a supersymmetric $t-J$ Hamiltonian in considerable detail. The impurity comprises the local deformation of the hopping and exchange…
Isospectral Runge-Kutta methods are well-suited for the numerical solution of isospectral systems such as the rigid body and the Toda lattice. More recently, these integrators have been applied to geophysical fluid models, where their…
We present a Green's function formulation of the quantum defect embedding theory (QDET) where a double counting scheme is rigorously derived within the $G_0 W_0$ approximation. We then show the robustness of our methodology by applying the…
Quantitative simulation of electronic structure of solids requires treating local and non-local electron correlations on an equal footing. We present a new ab initio formulation of Green's function embedding which, unlike dynamical…
We present a thermodynamic description of a single magnetic impurity at the edge of a superconducting wire. The impurity exhibits four phases $\unicode{x2014}$ Kondo, Yu-Shiba-Rusinov (YSR) I and II, and local moment $\unicode{x2014}$ a…
The use of the Factorization method for Electrical Impedance Tomography has been proved to be very promising for applications in the case where one wants to find inhomogeneous inclusions in a known background. In many situations, the…
Traditional interpolation techniques for particle tracking include binning and convolutional formulas that use pre-determined (i.e., closed-form, parameteric) kernels. In many instances, the particles are introduced as point sources in time…
In contrast with most Monte Carlo integration algorithms, which are used to estimate ratios, the replica gas identities recently introduced by Adib enable the estimation of absolute integrals and partition functions using multiple copies of…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven…
This work presents a Green's function approach, originally implemented in graphene with well-defined edges, to the surface of a strong 3D Topological Insulator (TI) with a sequence of proximitized superconducting (S) and ferromagnetic (F)…
A collisional-radiative non-equilibrium impurity treatment for JOREK 3D nonlinear magneto-hydrodynamic (MHD) simulations has been developed. The impurities are represented by super-particles flowing along the fluid velocity field lines,…
We propose a novel mechanism of impurity screening in (1+1)$d$ quantum critical states described by conformal field theories (CFTs). An impurity can be screened if it has the same quantum numbers as some gapless degrees of freedom of the…