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Using large-scale atomistic simulations, dislocation mechanics in the presence of linear complexions are investigated in an Fe-Ni alloy, where the complexions appear as nanoparticle arrays along edge dislocation lines. When mechanical shear…
In this contribution we would like to revisit the problems of ferromagnetism (F) and antiferromagnetism (AF) in the pure itinerant model. These methods can be extended later to the superconducting materials. In our model we assume the…
We study impurity bound states and impurity-induced order in the superconducting state of LiFeAs within a realistic five-band model based on the band structure and impurity potentials obtained from density functional theory (DFT). In…
Muon spin relaxation measurements are reported on samples of dimethylammonium metal formates containing magnetic divalent nickel, cobalt, manganese, and copper ions. These hybrid organic-inorganic perovskites exhibit weak ferromagnetism and…
Using a Dirac-Heisenberg Hamiltonian with biquadratic exchange interactions, we study the effect of iron disproportionation on the magnetic ordering, and describe the first-order magnetic transition occurring in the perovskite…
Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO2 were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the…
We studied effect of non-magnetic and magnetic impurities on superconductivity in Lu$_2$Fe$_3$Si$_5$ by small amount substitution of the Lu site, which investigated structural, magnetic, and electrical properties of non-magnetic…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
In this study, we examine how the thermomagnetic characteristics of spin-1/2 Ising trilayer ferrimagnets made of coupled square monolayers with ABA and AAB stacking sequences are affected by controlled site dilution. The system is composed…
In order to find out if magnetic impurities can mediate interactions between quasiparticles in metals, we have measured the effect of a magnetic field B on the energy distribution function f(E) of quasiparticles in two silver wires driven…
The dependence of the superconducting proximity effect on the amount of magnetic impurities in the normal part of Andreev interferometers has been studied experimentally. The dephasing rates obtained from fitting experimental data to…
Less common ligand coordination of transition-metal centers is often associated with peculiar valence-shell electron configurations and outstanding physical properties. One example is the Fe$^+$ ion with linear coordination, actively…
We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…
With current research efforts shifting towards the 4$d$ and 5$d$ transition metal oxides, understanding the evolution of the electronic and magnetic structure as one moves away from 3$d$ materials is of critical importance. Here we perform…
We present first principles calculations of the exchange interactions between magnetic impurities deposited on (001), (110) and (111) surfaces of Cu and Au and analyze them, in particular, in the asymptotic regime. For the (110) and the…
We study the role of static and dynamical Coulomb correlation effects on the electronic and magnetic properties of individual Mn, Fe and Co adatoms deposited on the CuN surface. For these purposes, we construct a realistic Anderson model,…
We investigate the magnetic behavior and critical exponents of quaternary CoFeV$_{0.8}$Mn$_{0.2}$Si Heusler alloy to understand the interactions across the Curie temperature ($T_{\rm C}$). The Rietveld refinement of the x-ray diffraction…
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…
Controlling magnetic order on ultrafast timescales, driven by spintronic and recording applications, is one of the main directions of current research in magnetism. Despite major advances in understanding the temporal evolution of magnetic…
Precise neutron-scattering experiments on La$_{1.88-y}$Sr$_{0.12+y}$Cu$_{0.99}$R$_{0.01}$O$_4$ ($y$=0 for R=Cu, Zn and $y$=0.01 for R=Ga, Fe) were performed to examine the stability of stripe order in cuprate oxides through impurity…