相关论文: A proposed new route to d0 magnetism in semiconduc…

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…

The first principles calculations (GGA) have been applied to study the crystallographic defects in $\alpha$-PbO in order to understand an origin of $n$- and $p$-type conductivity in otherwise undoped $\alpha$-PbO. It was found that…

We study the effect of a uniform external magnetization on p-wave superconductivity on the (001) surface of the crystalline topological insulator(TCI) Pb$_{1-x}$Sn$_{x}$Te. It was shown by us in an earlier work that a chiral p-wave finite…

The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states and Bloch…

We present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the…

Recent experiments on high-temperature superconductors show paramagnetic behavior localized at grain boundaries (GB). This paramagnetism can be attributed to the presence unconventional d-wave induced $\pi$-junctions. By modeling the GB as…

We propose that localized defects in magnetic semiconductors act as deep impurities and can be described by the Anderson model. Within this model, hybridization of d-orbitals and p-orbitals gives rise to a non-RKKY indirect exchange…

Unconventional magnetic orders usually interplay with superconductivity in intriguing ways. Here we propose that a conventional superconductor in proximity to a compensated $p$-wave magnet exhibits behaviors analogous to those of Ising…

Experimental evidence suggests that FeSe is close to a magnetic instability, and recent scanning tunneling microscopy (STM) measurements on FeSe multilayer films have revealed stripe order locally pinned near defect sites. Motivated by…

A magnetic atomic impurity inside a superconductor locally distorts superconductivity. They scatter Cooper pairs as a potential with broken time-reversal symmetry, what leads to localized bound states with subgap excitation energies, named…

We study the formation of magnetic states in localized impurities embedded into two-dimensional semiconductors. By considering various energy configurations, we illustrate the interplay of the gap and the bands in the system magnetization.…

Predicting magnetism originating from 2$p$ orbitals is a delicate problem, which depends on the subtle interplay between covalency and Hund's coupling. Calculations based on density functional theory and the local spin density approximation…

We have performed ab initio calculations to systematically investigate electronic properties and magnetism of insulating non-magnetic beryllium monoxide nanotubes induced by non-magnetic sp impurities: boron, carbon and nitrogen. We found…

We describe a possible pathway to new magnetic materials with no conventional magnetic elements present. The substitution of Nitrogen for Oxygen in simple non magnetic oxides leads to holes in N 2$p$ states which form local magnetic…

Room-temperature ferromagnetism has been recently discovered in Co-doped TiO$_2$ rutile. Our $ab$ $initio$ density-functional theory investigations show that the substitutional Co ions incorporated into TiO$_2$ rutile tend to cluster and…

The influence of vacancies and interstitial atoms on magnetism in Pu has been considered in frames of the Density Functional Theory (DFT). The relaxation of crystal structure arising due to different types of defects was calculated using…

Intermetallic YCo$_2$ compound is a Pauli exchange-enhanced paramagnet. Structural and magnetic properties of rapidly quenched YCo$_2$ and YCo$_2$ alloyed with Nb or Ti are presented. Samples produced by melt spinning have been…

We study magnetic order induced by non-magnetic impurities in quantum paramagnets with incommensurate host spin correlations. In contrast to the well-studied commensurate case where the defect-induced magnetism is spatially disordered but…

Spin-polarized band calculations for supercells of SrB$_{6}$, where a La-, In- or Al- impurity or a vacancy is replacing one Sr, are performed within the local spin density approximation. Moderately large cells with 8 formula units (56…

We study the driving mechanism and the form of the orbital order in the electronic nematic phase of the iron-based superconductors(IBSs) within the random phase approximation of a 5-band model. We find the magnetic correlation energy of the…