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Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scientific problems. Still, the precision of different packages…
Integrable Kondo impurities in the one-dimensional supersymmetric U model of strongly correlated electrons are studied by means of the boundary graded quantum inverse scattering method. The boundary K matrices depending on the local…
We introduce an integrable impurity model in which both electrons and impurity have spin and flavour degrees of freedom. This model is a generalization of the multi-channel Kondo model and closely related with resonant tunneling through…
We present the results of detailed theoretical investigations of changes in local density of total electronic surface states in 2D anisotropic atomic semiconductor lattice in vicinity of impurity atom for a wide range of applied bias…
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics. However, many materials with finite band gaps are not…
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…
The electronic structure near a single classical magnetic impurity in a superconductor is determined using a fully self-consistent Koster-Slater algorithm. Localized excited states are found within the energy gap which are half electron and…
Deep defects in wide band gap semiconductors have emerged as leading qubit candidates for realizing quantum sensing and information applications. Due to the spatial localization of the defect states, these deep defects can be considered as…
We show that Majorana edge modes of two-dimensional spin-triplet topological superconductors have Ising-like spin density whose direction is determined by the d-vector characterizing the spin-triplet pairing symmetry. Exchange coupling…
The fabrication of micro- and nano-scale silicon electronic devices requires precision lithography and controlled processing to ensure that the electronic properties of the device are optimized. Importantly, the Si-SiO2 interface plays a…
We propose a method for measuring the temperature of strongly correlated phases of ultracold atom gases confined in spin-dependent optical lattices. In this technique, a small number of "impurity" atoms--trapped in a state that does not…
We use the numerical renormalization group method to study an Anderson impurity in a conduction band with the density of states varying as rho(omega) \propto |omega|^r with r>0. We find two different fixed points: a local-moment fixed point…
The quasiparticle states around a nonmagnetic impurity in electron-doped iron-based superconductors with spin-density-wave (SDW) order are investigated as a function of doping and impurity scattering strength. In the undoped sample, where a…
Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…
Randomized measurements access nonlinear functionals without full tomography, yet turning third-order local single-copy data into a strong entanglement test remains difficult. We convert the reduction criterion into an experimentally…
Although in-situ transmission electron microscopy (TEM) of nanomaterials has been gaining importance in recent years, difficulties in sample preparation have limited the number of studies on electrical properties. Here, a support-based…
The local density of states (LDOS) and its Fourier component induced by a unitary impurity in a supercurrent-carrying d-wave superconductor are investigated. Both of these quantities possess a reflection symmetry about the line passing…
In this article we propose two novel 3D finite element models, denoted method A and B, for electron and hole Drift-Diffusion (DD) current densities. Method A is based on a primal-mixed formulation of the DD model as a function of the…
Strontium titanate (STO) possesses promising properties for applications in thermoelectricity, catalysis, fuel cells, and more, but its performance is highly dependent on stoichiometry and impurity levels. While atom probe tomography (APT)…
Digitization of detector signals enables analysis of the original waveform to extract timing, particle identification, and energy deposition information. Here we present the use of analytical functions based on sigmoids to model and fit…