Related papers: First-principles calculations for Fe impurities in…
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…
We consider an "impurity" with a spin degree of freedom coupled to a finite reservoir of non-interacting electrons, a system which may be realized by either a true impurity in a metallic nano-particle or a small quantum dot coupled to a…
Charge redistribution at high-Tc superconductor interfaces and grain boundaries on the one hand is problematic for technological application. On the other hand, it gives rise to a great perspective for tailoring the local electronic states.…
We report an ab-initio comparative study of the electric-field-gradient tensor (EFG) and structural relaxations introduced by acceptor (Cd) and donor (Ta) impurities when they replace cations in a series of binary oxides: TiO2, SnO2, and…
A single impurity problem is investigated for multiband s-wave superconductors with different sign order parameters (+-s-wave superconductors) suggested in Fe-pnictide superconductors. Not only intraband but also interband scattering is…
We study the electronic structure and correlations of vitamin B12 (cyanocobalamine) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition-metal impurity in a semiconductor host. The parameters of…
To identify what types of non-Fermi liquid (NFL) behavior are most likely to occur in cubic metals due to doublet impurities, we derive every cubic symmetry-allowed, NFL, Kondo-type exchange coupling that does not need accidental degeneracy…
We investigate how magnetic impurities may affect a system exhibiting charge-density wave (CDW) in its ground state. We consider a disordered Hubbard-Holstein model with a homogeneous electron-phonon interaction, but with a (randomly…
In conventional superconductors, magnetic impurities form an impurity band due to quantum interference of the impurity bound states, leading to suppression of the superconducting transition temperature. Such quantum interference effects can…
Doping lithium-ion battery electrode materials LiMO$_2$ (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides…
It is now well established that Zn doping of high-$T_C$ cuprates reduces their $T_C$ and triggers the appearence of a spin glass phase. In this context, we have solved exactly the problem of N non magnetic impurities in the staggered flux…
Combining density-functional theory calculations and microscopic tight-binding models, we investigate theoretically the electronic and magnetic properties of individual substitutional transition-metal impurities (Mn and Fe) positioned in…
Embedding calculations that find approximate solutions to the Schr\"{o}dinger equation for large molecules and realistic solids are performed commonly in a three step procedure involving (i) construction of a model system with effective…
We report on the effect of magnetic impurities on the microscopic superconducting (SC) properties of the kagome-lattice superconductor La(Ru$_{1-x}$Fe$_{x}$)$_{3}$Si$_{2}$ using muon spin relaxation/rotation. A strong suppression of the…
In this supplementary material, we investigate further the impurity-induced freezing mechanism in a doped system of 3D weakly coupled ladders resembling Bi(Cu$_{1-x}$Zn$_x$)$_2$ZnPO$_6$ using large scale Quantum Monte Carlo simulations.
We give a quasi-polynomial time classical algorithm for estimating the ground state energy and for computing low energy states of quantum impurity models. Such models describe a bath of free fermions coupled to a small interacting subsystem…
The influence of magnetic (S=1) and nonmagnetic (S=0) impurities on the spin dynamics of an optimally doped high temperature superconductor is compared in two samples with almost identical superconducting transition temperatures:…
We study a magnetic impurity embedded in a correlated electron system using the density-matrix renormalization group method. The correlated electron system is described by the one-dimensional Hubbard model. At half filling, we confirm that…
We calculate the density of states for an interacting quantum wire in the presence two impurities of arbitrary potential strength. To perform this calculation, we describe the Coulomb interactions in the wire within the Tomonaga-Luttinger…
Quantum states induced by single-atomic impurities are at the frontier of physics and material science. While such states have been reported in high-temperature superconductors and dilute magnetic semiconductors, they are unexplored in…