Related papers: Ab Initio Calculation of Impurity Effects in Coppe…
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…
We theoretically investigate the local density of states (LDOS) probed by a STM tip of ferromagnetic metals hosting a single adatom and a subsurface impurity. We model the system via the two-impurity Anderson Hamiltonian. By using the…
In BiS$_2$-based layered superconductors,the existence of gap nodes on Fermi-surface curves has been suggested from angle-resolved photoemission spectroscopy measurements, whereas the conventional $s$-wave gap has been proposed from…
We use the self-interaction corrected local spin-density approximation to investigate the ground state valency configuration of transition metal (TM = Mn, Co) impurities in n- and p-type ZnO. We find that in pure Zn1-xTMxO, the localized…
We have calculated the density of states $N(\omega)$ of a dirty but homogeneous superconductor in a high magnetic field. We assume a dilute concentration of scalar impurities and find how $N(\omega)$ behaves as one crosses from the weak…
Using an effective Hamiltonian with d-wave superconductivity (dSC) and competing antiferromagnetic (AF) interactions, we show that weak and one-dimensionally modulated dSC, spin density wave (SDW) and charge density wave (CDW) could coexist…
We perform a theoretical examination of the local electronic structure in the recently discovered bilayer high-temperature superconductor ${\mathrm{La}_3\mathrm{Ni}_2\mathrm{O}_7}$. Our method begins with a bilayer two-orbital tight-binding…
Defects in graphene are of crucial importance for its electronic and magnetic properties. Here impurity effects on the electronic structure of surrounding carbon atoms are considered and the distribution of the local densities of states…
The effect of zinc substitution on the local electronic structure of several cuprates is investigated using first-principles cluster calculations. Clusters comprising 5, 9, and 13 copper atoms in the cuprate plane of La$_2$CuO$_4$,…
Defect energy formation, lattice distortions and electronic structure of cubic In2O3 with Sn, Ga and O impurities were theoretically investigated using density functional theory. Different types of point defects, consisting of 1 to 4 atoms…
A high-energy spin resonance mode is known to exist in many high-temperature superconductors. Motivated by recent scanning tunneling microscopy (STM) experiments in superconducting Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$, we study the effects of…
We consider a model of an Anderson impurity embedded in a $d_{x^2-y^2}$-wave superconducting state to describe the low-energy excitations of cuprate superconductors doped with a small amount of magnetic impurities. Due to the Dirac-like…
Here we report a scanning tunneling microscopy (STM) and spectroscopy (STS) study in the superconducting state of 2H-NbS2. We directly visualize the existence of incommensurate charge density wave (CDW) that is pinned by atomic impurities.…
We predict a resonance impurity state generated by the substitution of one Cu atom with a nonmagnetic atom, such as Zn, in the pseudogap state of a high-T_c superconductor. The precise microscopic origin of the pseudogap is not important…
We study the electronic structure and superconductivity in CuO$_2$ monolayer grown recently on $d$-wave cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. Density functional theory calculations indicate significant charge transfer…
The spectroscopic characteristics of systems with adsorbed d impurities on noble metal surfaces should depend on the number and geometric arrangement of the adsorbed atoms and also on their d band filling. Recent experiments using scanning…
We investigated the doping effects of magnetic and nonmagnetic impurities on the single-crystalline p-type Ba0.5K0.5Fe2-2xM2xAs2 (M = Mn, Ru, Co, Ni, Cu and Zn) superconductors. The superconductivity indicates robustly against impurity of…
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…
The local density of states near dopants or impurities has recently been probed by scanning tunneling microscopy in both the parent and very lightly doped compounds of the high-$T_c$ cuprate superconductors. Our calculations based on a…
This PhD thesis conducts a focused study of strongly correlated materials with localized electron orbitals. We have studied two real materials (LuNiO$_3$ and VO$_2$) and one model system, i.e., the Anderson impurity model. The thesis is…