相关论文: Effects of the crystal structure on the ferromagne…

A new route to $d^0$ magnetism is established with help of the first principles methods. Non-magnetic interstitial impurities from group 14 in the periodic table are found to induce $p$-orbital magnetism in polycrystalline PbO-type…

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…

Results from hybrid density functional theory calculations on the thermodynamic stability and optical properties of the Zn vacancy ($V_{\text{Zn}}$) complexed with common donor impurities in ZnO are reported. Complexing $V_{\text{Zn}}$ with…

We investigate the boundary effects that arise when spin-$\frac{1}{2}$ impurities interact with the edges of the antiferromagnetic spin-$\frac{1}{2}$ Heisenberg chain through spin exchange interactions. We consider both cases when the…

Magnetic impurity effects on metallic carbon nanotubes are studied theoretically. The resolvent method for the multi channel Kondo effect is applied to the band structure of the kp perturbation hamiltonian in the limit of the infinite…

We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the potential energy surface is performed to identify the correct…

We study the magnetic anisotropy effects on the localized sub-gap excitations induced by quantum impurities coupled to a superconducting host. We establish the ground-state phase diagrams for single-channel and two-channel high-spin Kondo…

The full potential linearized augmented plane wave (FLAPW) method was used to study the crystal structure and electronic structure properties of PbFe0.5Nb0.5O3 (PFN). The optimized crystal structure, density of states, band structure and…

We consider an "impurity" with a spin degree of freedom coupled to a finite reservoir of non-interacting electrons, a system which may be realized by either a true impurity in a metallic nano-particle or a small quantum dot coupled to a…

We present the results of a computational study of ZnO in the presence of Co and Mn substitutional impurities. The goal of our work is to identify potential ferromagnetic ground states within the (Zn,Co)O or (Zn,Mn)O material systems that…

Applying the generalization of the model for chain formation in break-junctions [JPCM 24, 135501 (2012)], we study the effect of light impurities on the energetics and elongation properties of Pt and Ir chains. Our model enables us with a…

Coupling between different interactions allows to control physical aspects in multifunctional materials by perturbing any of the degrees of freedom. Here, we aim to probe the correlation among structural, electronic and magnetic observables…

We study the interplay of quantum impurity, and collective spinon and holon dynamics in Zn doped high-T$_c$ cuprates in the normal state. The two-dimensional t-t$^{\prime}$-J models with one and a small amount of Zn impurity are…

Effects of nonmagnetic impurity doping on an AF spin-1/2 Heisenberg ladder system are studied by the QMC method. A single nonmagnetic impurity induces a localized spin-1/2 moment accompanied by "static" and enhanced AF correlations around…

We study the low-temperature behavior of a magnetic impurity which is weakly coupled to correlated conduction electrons. To account for conduction electron interactions a diagrammatic approach in the frame of the 1/N expansion is developed.…

For the weakly coupled S=1 antiferromagnetic Heisenberg chains on a simple cubic lattice, the effects of magnetic impurities are investigated by the quantum Monte Carlo method with the continuous-time loop algorithm. The transition…

We consider the spatial spin correlations around a partially screened spin-1 magnetic moment in a metal exhibiting the underscreened Kondo effect. We find that the underscreening of the impurity spin results in spatial spin correlations…

We present the ab initio results of the structural and magnetic properties of the Pd host matrix implanted with Fe solute atoms at various concentrations. By means of density functional theory we confirm that iron impurities are able to…

Neutron powder diffraction studies of the crystal and magnetic structures of the magnetocaloric compound Mn1.1Fe0.9(P0.8Ge0.2) have been carried out as a function of temperature, applied magnetic field, and pressure. The data reveal that…

We investigate the physics of a magnetic impurity with spin 1/2 in a correlated metallic host. Describing the band by a Hubbard Hamiltonian, the problem is analyzed using dynamical mean-field-theory in combination with Wilson's…