Related papers: Ab Initio Calculation of Impurity Effects in Coppe…
The electronic structure near defects (such as impurities) in superconductors is explored using a new, fully self-consistent technique. This technique exploits the short-range nature of the impurity potential and the induced change in the…
The local quasiparticle density of states around a unitary impurity with a Kondo-like magnetic moment induced at its nearest neighbors in a d-wave superconductor is studied within the slave-boson mean-field approach. The Hamiltonian is…
We consider the influence of planar ``magnetic" imperfections which destroy the local magnetic order, such as Zn impurities or $Cu^{2+}$ vacancies, on the low temperature properties of the cuprate superconductors. In the unitary limit, at…
We develop a microscopic theory of the single impurity Kondo effect on a metallic surface. We calculate the hybridization energies for the Anderson Hamiltonian of a magnetic impurity interacting with surface and bulk states and show that,…
The quasiparticle scattering interference (QSI) is intimately related to the nature of the quasiparticle and of its interplay with a variety of electronic orders and superconductivity. Here starting from the microscopic octet scattering…
We have studied the effect of a single nonmagnetic impurity in the recently discovered (K,Tl)Fe$_x$Se$_2$ superconductors, within both a toy two-band model and a more realistic five-band model. We have found that, out of five types of…
Recent STM measurements have observed many inhomogeneous patterns of the local density of states on the surface of high-T_c cuprates. As a first step to study such disordered strong correlated systems, we use the BdG equation for the…
The properties of neutral acceptor states in zinc-blende semiconductors are re-examined in the frame of extended-basis $sp^3d^5s^*$ tight-binding model. The symmetry discrepancy between envelope function theory and atomistic calculations is…
We calculate self-consistently the local density of states (LDOS) of a d-wave superconductor considering the scattering of the quasiparticles off randomly distributed impurities and off externally induced vortices. The impurities and the…
The low energy band structure of the FeAs based superconductors is fitted by a tight binding model with two Fe ions per unit cell and two degenerate orbitals per Fe ion. Based on this, superconductivity with extended s-wave pairing symmetry…
We study the influence of anisotropy of the impurity potential on isotope coefficient of an impure superconductor in Born limit. From the isotope coefficient of non-magnetic and magnetic impurities including an angle-resolved Fermi surface…
We study the effects of quantum interference in impurity structures consisting of two or three magnetic impurities that are located on the surface of an s-wave superconductor. By using a self-consistent Bogoliubov-de Gennes formalism, we…
We present a theoretical study for the scanning tunneling microscopy (STM) spectra of surface-supported magnetic nanostructures, incorporating strong correlation effects. As concrete examples, we study Co and Mn adatoms on the Cu(111)…
In conventional superconductors, magnetic interactions and magnetic impurity atoms are destructive to superconductivity. By contrast, in some unconventional systems, e.g. superfluid 3He and superconducting UGe2, superconductivity or…
The influence of intrinsic defects of 1T-TaS2 on charge density waves (CDW) is studied using scanning tunneling microscopy and spectroscopy (STM, STS), angle-resolved photoelectron spectroscopy (ARPES), and density functional theory (DFT).…
We present first principle calculations of the structural and electronic properties of the CuS covellite material. Symmetry-lowering structural transition is well reproduced. However, the microscopic origin of the transition is unclear. The…
First-principles calculations of the electronic structure of members of the $R$NiC$_2$ series are presented, and their Fermi surfaces investigated for nesting propensities which might be linked to the charge-density waves exhibited by…
We study impurity bound states and impurity-induced order in the superconducting state of LiFeAs within a realistic five-band model based on the band structure and impurity potentials obtained from density functional theory (DFT). In…
A two-dimensional superconductor (SC) on surfaces of topological insulators (TIs) is a mixture of s-wave and helical p-wave components when induced by s-wave interactions, since spin and momentum are correlated. On the basis of the…
While the impurity-induced nanoscale electronic disorder has been extensively reported in the underdoped iron pnictides, its microscopic origins remain elusive. Recent scanning tunneling microscopy (STM) measurements reveal a dimer-type…