Related papers: First-principles calculations for Fe impurities in…
The interplay of confinement and Coulomb interactions in quantum dots can lead to strongly correlated phases differing qualitatively from the Fermi liquid behavior. We explore how the presence of magnetic impurities in quantum dots can…
The effects of spin-1 impurities introduced in dimerized antiferromagnetic spin chains are studied using Lanczos diagonalization and quantum Monte Carlo simulations. Firstly, the magnitude of the interaction between a Ni-ion replacing a…
The alternating integrable spin chain and the $RSOS(q_{1},q_{2};p)$ model in the presence of a quantum impurity are investigated. The boundary free energy due to the impurity is derived, the ratios of the corresponding $g$ functions at low…
We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of…
We describe spin correlations in the vicinity of a generalized impurity in a wide class of fractionalized spin liquid states. We argue that the primary characterization of the impurity is its electric charge under the gauge field describing…
We have investigated electronic structures of antiferromagnetic YBaCo_2O_5 using the local spin-density approximation (LSDA) + U method. The charge and orbital ordered insulating ground state is correctly obtained with the strong on-site…
We investigate physical properties of an Anderson impurity embedded in the bulk of a topological insulator. The slave-boson mean-field approximation is used to account for the strong electron correlation at the impurity. Different from the…
The electronic structure of lanthanide and actinide compounds is often characterized by orbital ordering of localized $f$-electrons. Density-functional theory (DFT) studies of such systems using the currently available LDA+$U$ method are…
We introduce a model for Ce$^{3+}$ impurities in cubic metals which exhibits competition between the Fermi-liquid fixed point of the single channel Kondo model and the non-Fermi-liquid fixed point of the two- and three-channel Kondo models.…
The ground state of the solid solution of the two spin gap systems (CH3)2CHNH3CuCl3 and (CH3)2CHNH3CuBr3 has been investigated by 1H-NMR. The existence of a magnetic ordering in the sample with the Cl-content x=0.85 was clearly demonstrated…
We discuss decoherence in charge qubits formed by multiple lateral quantum dots in the framework of the spin-boson model and the Born-Markov approximation. We consider the intrinsic decoherence caused by the coupling to bulk phonon modes.…
We investigate the electronic structure of cobalt atoms on a copper surface and in a copper host by combining density functional calculations with a numerically exact continuous-time quantum Monte Carlo treatment of the five-orbital…
The effect of magnetic impurities on the ballistic conductance of nanocontacts is, as suggested in recent work, amenable to ab initio study \cite{naturemat}. Our method proceeds via a conventional density functional calculation of spin and…
We have performed a systematic first-principles investigation to calculate the electronic structures, mechanical properties, and phonon dispersion curves of NpO$_{2}$. The local density approximation$+U$ and the generalized gradient…
We present a self-interaction corrected local spin density (SIC-LSD) study of the electronic structure and possible charge order of magnetite, Fe$_{3}$O$_{4}$. The issue of charge order in magnetite is explored in both cubic and…
A brief review is given of a new method for studying the critical behavior of quantum impurity problems, based on conformal field theory techniques, which I developed with Andreas Ludwig. Some results on the overscreened Kondo problem are…
Recent scanning tunnelling microscopy (STM) experiments on underdoped cuprates have displayed modulations in the local electronic density of states which are centered on a Cu-O-Cu bond (Kohsaka et. al., cond-mat/0703309). As a paradigm of…
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials C$_2$N, $tg$-, and $hg$-C$_3$N$_4$ by means of density functional theory calculations. We consider four types of impurities;…
The Anderson impurity model for Kondo problem is investigated for arbitrary orbit-spin degeneracy $N$ of the magnetic impurity by the equation of motion method (EOM). By employing a new decoupling scheme, a set self-consistent equations for…
We consider a symmetric Anderson impurity model, with a soft-gap hybridization vanishing at the Fermi level with a power law r > 0. Three facets of the problem are examined. First the non-interacting limit, which despite its simplicity…