相关论文: Inversion of Dislocation-Impurity Interactions in …

The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized…

We study the physics of dilute magnetic impurities in a two-dimensional altermagnetic metal. For the single impurity case, although the spin degeneracy is broken in an altermagnetic metal, we show that the antiferromagnetic Kondo coupling…

Impurity effects on the triangular antiferromagnets Ni$_{1-x}M_x$Ga$_2$S$_4$ ($M=$ Mn, Fe, Co and Zn) are studied. The 2D frozen spin-disordered state of NiGa$_2$S$_4$ is stable against the substitution of Zn$^{2+}$ ($S=0$) and Heisenberg…

Density functional theory was applied to study influence of the isolated impurity located on the regular site of the alpha-Fe crystal on the charge and spin density (hyperfine interactions) on the iron nucleus. Calculations were performed…

We present first-principles based density functional theory calculations of the electronic and magnetic structure of CrO2 with 3d (Ti through Cu) and 4d (Zr through Ag) substitutional impurities. We find that the half-metallicity of CrO2…

We investigate how magnetic impurities may affect a system exhibiting charge-density wave (CDW) in its ground state. We consider a disordered Hubbard-Holstein model with a homogeneous electron-phonon interaction, but with a (randomly…

The electronic structure of diluted magnetic semiconductors is studied, especially focusing on the hole character. The Haldane-Anderson model is extend to a magnetic impurity, and is analyzed in the Hartree-Fock approximation. Due to the…

In materials with strong local Coulomb interactions, simple defects such as atomic substitutions strongly affect both macroscopic and local properties of the system. A nonmagnetic impurity, for instance, is seen to induce magnetism nearby.…

Motivated by recent nuclear magnetic resonance experiments on ZnCu$_3$(OH)$_6$Cl$_2$, we present an exact-diagonalization study of the combined effects of non-magnetic impurities and Dzyaloshinskii-Moriya (DM) interactions in the $s = 1/2$…

In a number of systems, including certain semiconductors and unconventional superconductors, the effective density of states varies near the Fermi energy like $|E-E_F|^r$. The behavior of dilute magnetic impurities in such systems is…

We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…

The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio…

We report a combined valence band photoemission and Auger spectroscopy study of single crystalline Ca(Fe,Co)2As2 and Ba(Fe,TM)2As2 with TM=Ni or Cu. The valence band photoemission data show directly that the TM-states move to higher binding…

We study the impact of dynamical correlations on the electronic structure and coherent transport properties of Cu nanocontacts hosting a single magnetic impurity (Ni,Co,Fe) in the contact region. The strong dynamical correlations of the…

First principles density functional theory based calculations have been carried out to predict the effects of Mn replacement by Fe and Cr on electronic as well as magnetic properties of Pt$_{2}$MnGa as well as Ni$_{2}$MnGa. All the…

Since the discovery of the quantum anomalous Hall effect in the magnetically doped topological insulators (MTI) Cr:(Bi,Sb)$_2$Te$_3$ and V:(Bi,Sb)$_2$Te$_3$, the search for the exchange coupling mechanisms underlying the onset of…

We have investigated the dilute magnetic impurity effect on the magnetic properties of a quantum spin liquid candidate Ba3ZnRu2O9 and a spin gapped compound Ba3CaRu2O9. The magnetic ground state of each compound stands against 2%…

We study the role of the onset of Shockley states, $D_s$, belonging to (111) surfaces of Cu, Ag and Au in the Kondo effect when a magnetic impurity is deposited on them. When $D_s$ approaches to the Fermi level, $E_F$, thing that can be…

In this Monte Carlo study we concentrated on the influence of non-magnetic impurities arranged as the lines with random orientation on paramagnetic-to-ferromagnetic phase transition in the 3D Ising model. Special emphasize is given to the…

We have studied the dependence of impurity vs. band effects in the appearance of inverse giant magnetoresistance (IGMR) in Cu/Fe superlattices whit Cr. Current in plane (CIP) and current perpendicular to the plane (CPP) geometries are…