Related papers: Density functional study of orbital-selective magn…
The electronic structure, magnetic and structural properties of the superconductor ThFeAsN are discussed in relation to the Fe-pnictide and Fe-chalcogenide superconductors based on results of first principles calculations. The electronic…
The determination of the most appropriate starting point for the theoretical description of Fe-based materials hosting high temperature superconductivity remains among the most important unsolved problem in this relatively new field. Most…
We use neutron scattering to study the structural distortion and antiferromagnetic (AFM) order in LaFeAsO$_{1-x}$F$_{x}$ as the system is doped with fluorine (F) to induce superconductivity. In the undoped state, LaFeAsO exhibits a…
Through detailed electronic structure simulations we show that the electronic orbital ordering (between d$_{yz}$ and d$_{xz}$ bands) takes place due to local breaking of in-plane symmetry that generates two non-equivalent $a$, $b$…
Orbital selectivity is pivotal in dictating the phase diagrams of multiorbital systems, with prominent examples including the orbital-selective Mott phase and superconductivity, etc. The intercalation of anisotropic layers represents an…
Optical manipulation of magnetism holds promise for future ultrafast spintronics, especially with lanthanides and their huge, localized 4f magnetic moments. These moments interact indirectly via the conduction electrons (RKKY exchange),…
Motivated by pressure experiments on FeAs-122 superconductors, we propose a scenario based on local-moment physics to explain the simultaneous disappearance of magnetism, reduction of the unit cell volume, and decrease in resistivity. In…
The interplay between different ordered phases, such as superconducting, charge or spin ordered phases, is of central interest in condensed matter physics. The very recent discovery of superconductivity with a remarkable T$_c$= 26 K in…
Iron arsenide superconductors based on the material LaFeAsO1-xFx are characterized by a two-dimensional Fermi surface (FS) consisting of hole and electron pockets yielding structural and antiferromagnetic transitions at x = 0. Electron…
We demonstrate that the differential conductance, $dI/dV$, measured via spectroscopic imaging scanning tunneling microscopy in the doped iron chalcogenide FeSe$_{0.45}$Te$_{0.55}$, possesses a series of characteristic features that allow…
Muon spin rotation and relaxation studies have been performed on a "111" family of iron-based superconductors NaFe_1-xNi_xAs. Static magnetic order was characterized by obtaining the temperature and doping dependences of the local ordered…
Long range orbital order has been investigated in Fe$_{1-x}$Mn$_x$V$_2$O$_4$ as a function of doping (x) using first principles density functional theory calculations including the effects of Coulomb correlation and spin-orbit interaction…
Novel or unusual magnetism is a subject of considerable interest, particularly in metals and degenerate semiconductors. In such materials the interplay of magnetism, transport and other Fermi liquid properties can lead to fascinating…
Fe3-xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism:…
We assess the ability of the Thomas--Fermi--von Weizsacker (TFW) functional within orbital-free density functional theory (DFT) to describe itinerant magnetism. Magnetic stability is evaluated through the susceptibility obtained from the…
The polarization dependence of the near edge x-ray absorption spectroscopy (XANES) is an element specific probe to the real-space distribution of the density of unoccupied states in solid-state materials. In this paper, we present Fe and As…
Nodal superconductivity is observed in LiFeP while its counterpart LiFeAs with similar topology and orbital content of the Fermi surfaces is a nodeless superconductor. We explain this difference by solving, in the two-Fe Brillouin zone, the…
Iron telluride (FeTe), a relative of the iron based high temperature superconductors, displays unusual magnetic order and structural transitions. Here we explore the idea that strong correlations may play an important role in these…
FeSe is arguably the simplest, yet the most enigmatic, iron-based superconductor. Its nematic but non-magnetic ground state is unprecedented in this class of materials and stands out as a current puzzle. Here, our NMR measurements in the…
Zero-field (ZF) muon spin relaxation ($\mu$SR) measurements have revealed static commensurate magnetic order of Fe moments in NdOFeAs below $T_{N} \sim 135$ K, with the ordered moment size nearly equal to that in LaOFeAs, and confirmed…