Related papers: Density functional study of orbital-selective magn…
In iron-based superconductors, high critical temperature (Tc) superconductivity over 50 K has only been accomplished in electron-doped hREFeAsO (hRE = heavy rare earth (RE) element). While hREFeAsO has the highest bulk Tc (58 K), progress…
Magnetic anisotropies of ferromagnetic thin films are induced by epitaxial strain from the substrate via strain-induced anisotropy in the orbital magnetic moment and that in the spatial distribution of spin-polarized electrons. However, the…
The structural, electronic, and magnetic properties of the superconducting NdFeAsO$_{1-x}$F$_{x}$ phases ($T_C=43 {\rm K}$ for $x=0.15$) have been investigated experimentally by high-resolution synchrotron x-ray powder diffraction,…
Variant approaches, either based on the Fermi surface nesting or started from the proximity to a Mott-insulator, were proposed to elucidate the physics in iron pnictides, but no consensus has been reached. A fundamental problem concerns the…
We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As,P)O (R=La, Ce, Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all…
We present results based on local spin density calculations of a computational search for half-metallic (HM) antiferromagnetic (AFM) materials within the class of double perovskite structure oxides LaM'M''O3 that incorporate open shell 3d…
We screen 4784 stable monolayers from the Computational 2D Materials Database (C2DB) and identify 57 ferromagnetic (FM) and 67 antiferromagnetic (AFM) compounds that should exhibit linear magnetoelectric (ME) effects. Using density…
Physical phenomena in condensed matter normally arise from the collective effect of all atoms, while selectively addressing a lone atomic sublattice by external stimulus is elusive. The later functionality may, however, benefit various…
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve in the 2-Fe Brillouin zone the full frequency-dependent…
We theoretically investigate the local density of states (LDOS) probed by a STM tip of ferromagnetic metals hosting a single adatom and a subsurface impurity. We model the system via the two-impurity Anderson Hamiltonian. By using the…
We investigate the evolution of magnetic properties as a function of hydrogen doping in iron based superconductor LaFeAsO$_{1-x}$H$_x$ using the dynamical mean-field theory combined with the density-functional theory. We find that two…
We use quantum oscillation measurements to distinguish between spin and orbital components of the lowest energy quasiparticle excitations in YBa2Cu3O6.54, each of which couple differently to a magnetic field. Our measurements reveal the…
This work is devoted to the analysis of orbital patterns and related to them interatomic magnetic interactions in centrosymmetric monoclinic structures of BiMnO$_3$, which have been recently determined experimentally. First, we set up an…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…
We report extensive measurements of quantum oscillations in the normal state of the Fe-based superconductor LaFePO, (Tc ~ 6 K) using low temperature torque magnetometry and transport in high static magnetic fields (45 T). We find that the…
Multi-orbital physics in quasi-two-dimensional electron gases (q2DEGs) triggers unique phenomena not observed in bulk materials, such as unconventional superconductivity and magnetism. Here, we investigate the mechanism of orbital selective…
In the stoichiometric Fe-pnictides the same d-electrons form the local moments and participate in the metallic conductivity. In the manuscript the emergence of the magnetic moments on the Fe-sites, their interaction with the itinerant…
Using first principles calculations, we analyze structural and magnetic trends as a function of charge doping and pressure in BaFe$_2$As$_2$, and compare to experimentally established facts. We find that density functional theory, while…
We investigate the effect of external pressure on the Fe magnetic moment in undoped LaOFeAs within the framework of density functional theory and show that this system is close to a magnetic instability: The Fe moment is found to drop by…
We present a theory of magnetic and magneto-transport phenomena at LaAlO$_3$/SrTiO$_3$ interfaces, which as a central ingredient includes coupling between the conduction bands and local magnetic moments originating from charge traps at the…