Related papers: First-principles calculations for Fe impurities in…
We consider line defects with large quantum numbers in conformal field theories. First, we consider spin impurities, both for a free scalar triplet and in the Wilson-Fisher $O(3)$ model. For the free scalar triplet, we find a rich phase…
Numerically exact path-integral Monte Carlo data are presented for $N\leq 10$ strongly interacting electrons confined in a 2D parabolic quantum dot, including a defect to break rotational symmetry. Low densities are studied, where an…
We present a theory of magnetic (Ni) and nonmagnetic (Zn) impurities substituted into planar Cu sites in the normal state of underdoped cuprates exhibiting a spin gap. Both types of impurities induce magnetic moments on neighboring Cu…
We study a localized spin coupled to an Anderson impurity to model the situation found in higher transition metal or rare earth compounds like e.g.\ LaMnO$_3$ or Gd monopnictides. We find that, even for large quantum numbers of the…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio…
A Coqblin-Schrieffer impurity of spin $S$ coupled to the boundary of an open SU(N)-invariant $t-J$ chain with $N = 2S+2$ is studied. The model is integrable as a function of one coupling parameter $v$ for arbitrary spin and band filling.…
The electronic and magnetic properties of a neutral substitutional nickel (Ni$_s^0$) impurity in diamond are studied using density functional theory in the generalized gradient approximation. The spin-one ground state consists of two…
We propose a self-consistent method for electronic structure calculations of correlated systems, which combines the local spin-density approximation (LSDA) and the dynamical mean field theory (DMFT). The LSDA part is based on the exact…
We present a new formulation of the theory of an arbitrary quantum impurity in an antiferromagnet, using the O(3) non-linear sigma model. We obtain the low temperature expansion for the impurity spin susceptibilities of antiferromagnets…
We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field…
We study impurity-induced magnetic order within a five-band Hubbard model relevant to the normal paramagnetic phase of iron-based superconductors. The existence of the local magnetic order is explained in terms of an impurity-enhancement of…
The engineered spin structures recently built and measured in scanning tunneling microscope experiments are calculated using density functional theory. By determining the precise local structure around the surface impurities, we find the Mn…
It is shown that the Hamiltonian for a quantum magnetic impurity on the surface of a topological insulator can be mapped to the conventional pseudo-gap Anderson impurity model, albeit with the combinations of continuum states which…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
In applying the semiempirical intermediate neglect of differential overlap (INDO) method based on the Hartree-Fock formalism to a cubic perovskite-based ferroelectric material KNbO3, it was demonstrated that the accuracy of the method is…
We study the addition of quantum fermionic impurities to the N=6 supersymmetric Chern-Simons-matter theories in 2+1 spacetime dimensions. The impurities are introduced by means of Wilson loops in the antisymmetric representation of the…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
Motivated by the recent experiments on the new spin half Kagome compound ZnCu3(OH)6Cl2, we study a phenomenological model of a frustrated quantum magnet. The model has a spin liquid groundstate and is constructed so as to mimic the…
Using angle-resolved photoemission spectroscopy (ARPES), we studied the effect of the impurity potential on the electronic structure of FeTe$_{0.5}$Se$_{0.5}$ superconductor by substituting 10\% of Ni for Fe which leads to an electron…
We address the problem of an unscreened Coulomb charge in graphene, and calculate the local density of states and displaced charge as a function of energy and distance from the impurity. This is done non-perturbatively in two different…