Related papers: Systematic first-principles study of impurity hybr…
Accurate high-energy electron diffraction measurements of structure factors of NiO have been carried out to investigate how strong correlations in the Ni 3d shell affect electron charge density in the interior area of nickel ions and…
We present a 31P NMR study of the coupled spin 1/2 ladder compound BiCu2PO6. In the pure material, intrinsic susceptibility and dynamics show a spin gap of about . Substitution of non magnetic Zn or magnetic Ni impurity at Cu site induces a…
Hybrid Monte Carlo and molecular dynamics simulations were used to investigate the interaction of light interstitials in multi-element Ni-based alloys. We show that light interstitials such as boron and oxygen fundamentally alter…
Effects of impurity on the spin-dependent transport in a single wall carbon nanotube spin-valve, as ferromagnetic electrode/carbon nanotube/ferromagnetic electrode model junction is numerically investigated. Using a generalized Green's…
We develop a quantum Boltzman equation approach that incorporates microscopic impurity models into the theory of orbital transport, revealing, how impurity properties, including their symmetry, influence the relaxation of orbital momentum…
The embrittlement of metallic alloys by liquid metals leads to catastrophic material failure and severely impacts their structural integrity. The weakening of grain boundaries by the ingress of liquid metal and preceding segregation in the…
The S=1/2 Heisenberg spin chain compound SrCuO2 doped with different amounts of nickel (Ni), palladium (Pd), zinc (Zn) and cobalt (Co) has been studied by means of Cu nuclear magnetic resonance (NMR). Replacing only a few of the S=1/2 Cu…
Spin-polarized density functional calculations, magnetization, and neutron diffraction measurements are carried out to investigate the magnetic exchange interactions and strong correlation effects in Yb substituted inverse spinel nickel…
We apply local orbital basis density functional theory (using SIESTA) coupled with a mapping to the Anderson impurity model to estimate the Coulomb assisted or correlated hybridization between transition metal d-orbitals and ligand…
We investigate the zero-temperature properties of a mobile impurity immersed in a bath of bosonic particles confined to a square lattice. We analyze the regimes of attractive and repulsive coupling between the impurity and the bath…
We investigate the effect of magnetic impurities on the local quasiparticle density of states (LDOS) in iron-based superconductors. Employing the two-orbital model where 3$d$ electron and hole conduction bands are hybridizing with the…
We investigate the behavior of a single particle hopping on a three dimensional cubic optical lattice in the presence of a Mott insulator of bosons in the same lattice. We calculate the critical interaction strength between the impurity and…
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…
Electronic states of single-component molecular metals M(tmdt)2 (M = Ni, Au) are studied theoretically. We construct an effective three-band Hubbard model for each material by numerical fitting to first-principles band calculations, while…
We study the effects of charged impurity scattering on the electronic transport properties of <110>-oriented Si nanowires in a gate-all-around geometry, where the impurity potential is screened by the gate, gate oxide and conduction band…
We study the effects of non-magnetic impurity scattering on the Andreev bound states (ABS) in an isolated vortex in a two-dimensional chiral p-wave superconductor numerically. We incorporate the impurity scattering effects into the…
We report on a comparative study of the valence band electronic structure of NiO as bulk material and of NiO as impurity in MgO. From the impurity we have been able to determine reliably the parameters which describe the local correlations,…
We study impurity effects in the spin nematic phase of the $S=1/2$ $J_1$-$J_2$ frustrated spin chain under an external magnetic field by using the infinite density matrix renormalization group and the bosonization. It is found that local…
We have investigated the structural and electronic properties of phosphorescent planar platinum(II) complexes at the interface of Au(111) with submolecular resolution using combined scanning tunneling microscopy and spectroscopy as well as…
We present the cationic impurity assisted band offset phenomena in NixCd1-xO (x= 0, 0.02, 0.05, 0.1, 0.2, 0.4, 0.8, 1) thin films and further discussed in the light of orbital hybridization modification. Compositional and structural studies…