相关论文: Transition metal impurity effect on charge and spi…
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…
The effect of nonmagnetic impurities and the effective masses on the spin-dependent transport in a ferromagnet-normal metal-ferromagnet junction is investigated on the basis of a two-band model. Our results show that impurities and the…
We theoretically consider the effects of having unintentional charged impurities in laterally coupled two-dimensional double (GaAs) quantum dot systems, where each dot contains one or two electrons and a single charged impurity in the…
Single-site and cluster dynamical mean-field methods are used to estimate the response of a doped Mott insulator to a charged impurity. The effect of correlations on the Thomas-Fermi screening properties is determined. The charge density,…
The effects of nonmagnetic impurity on the spin excitation spectra in a $d_{x^2-y^2}$-wave superconductor are examined, using the self-consistent $t$-matrix approximation. It is shown that the impurity self-energy acts to shift the position…
A method to calculate the effective spin Hamiltonian for a transition metal impurity in a non- magnetic insulating host is presented and applied to the paradigmatic case of Fe in MgO. In a first step we calculate the electronic structure…
We report a first-principles theoretical study of hyperfine interactions, zero-point effects and defect energetics of muonium and hydrogen impurities in silicon and germanium. The spin-polarized density functional method is used, with the…
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…
In this work, we investigate the dislocation-impurity interaction energies and their profiles for various \textit{3d} elements \textemdash V, Cr, Mn, Cu, Ni, and Co \textemdash in and around $1/2\langle111\rangle$ screw dislocations in…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
We present a systematic ab initio study based on density-functional calculations to understand impurity effects in iron-based superconductors. Effective tight-binding Hamiltonians for the d-bands of LaFeAsO with various transition-metal…
The charged and magnetic states of isolated impurities dissolved in amorphous metallic alloy are investigated. The Hamiltonian of the system under study is the generalization of Anderson impurity model. Namely, the processes of elastic and…
Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-principles investigation on the properties of iron as an…
Non-magnetic impurities in iron-based superconductors can provide an important tool to understand the pair symmetry and they can influence significantly the transport and the superconducting behaviour. Here, we present a study of the role…
In this paper we summarize the effects of magnetic and nonmagnetic impurities on the spin dynamics in Febased superconductors and their parent compounds. The effects of chemical substitution, vacancies, and disorder on the suppression or…
In conventional s-wave superconductors, only magnetic impurities exhibit impurity bound states, whereas for an s+- order parameter they can occur for both magnetic and non-magnetic impurities. Impurity bound states in superconductors can…
Charge transport in the diffusive normal metal (DN) / insulator / $s$- and $% d $-wave superconductor junctions is studied in the presence of magnetic impurities in DN in the framework of the quasiclassical Usadel equations with the…
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…
Combining density-functional theory calculations and microscopic tight-binding models, we investigate theoretically the electronic and magnetic properties of individual substitutional transition-metal impurities (Mn and Fe) positioned in…
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…