Related papers: Orbital Correlations in the Ferromagnetic Half-Met…
Near zero temperature, quantum magnetism can non-trivially arise from short-range interactions, but the occurrence of magnetic order depends crucially on the interplay of interactions, lattice geometry, dimensionality and doping. Even…
We study the role of electron correlations in the presumed type II Weyl semimetallic candidate $\gamma$-MoTe$_2$ by employing density functional theory (DFT) where the on-site Coulomb repulsion (Hubbard U) for the Mo 4$d$ states is included…
The t2g quasi-particle spectra of Na_0.3CoO_2 are calculated within the dynamical mean field theory. It is shown that as a result of dynamical Coulomb correlations charge is transfered from the nearly filled e_g' subbands to the a_1g band,…
We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbital-specific changes in the substrate electronic structure.…
Optical conductivity data s(w) of the colossal magneto-resistance (CMR) pyrochlore Tl2Mn2O7 are presented as functions of temperature (T) and externalmagnetic field (B). Upon cooling and upon applying B near the Curietemperature, where the…
A stable polymorph of CrO$_2$ is predicted using PBE+U method. The porous material is isostructural with $\alpha-$MnO$_2$ making it the second transition metal oxide in sparse hollandite group of materials. However, unlike the…
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…
The Metal-Insulator transition (MIT) in VO2 is characterized by the complex interplay among lattice, electronic and orbital degrees of freedom. In this contribution we investigated the strain-modulation of the orbital hierarchy and the…
We report quasiparticle properties of the half-metal ferromagnet CrO2 by means of high-resolution angle-resolved photoemission spectroscopy (ARPES). We clearly observed the Fermi surface (FS) and band dispersion in good agreement with the…
In strongly correlated systems the strength of Coulomb interactions between electrons, relative to their kinetic energy, plays a central role in determining their emergent quantum mechanical phases. We perform resonant x-ray scattering on…
In transition-metal compounds, the transition-metal d electrons play an important role in their physical properties; however, the effects of the electron correlation between the ligand p electrons have not been clear yet. In this Letter,…
Conductivity is one of the most direct probes of electronic systems, yet its theoretical description remains challenging in the presence of strong non-local correlations. In this Letter, we analyze the conductivity of the half-filled…
Two-dimensional ferromagnetic (2D FM) half-metal holds great potential for quantum magnetoelectronics and spintronic devices. Here, using density functional calculations and magnetic pictures, we study the electronic structure and magnetic…
Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication (Phys. Rev. B 95, 245121(2017)) on…
We present a detailed mean-field study to address the fundamental discrepancy in the ground state magnetization of $\mathrm{Sr_{2}CoO_{4}}$ (SCO). In contrast to the ferromagnetic metallic ground state obtained from density functional…
Using the merger of local density approximation and dynamical mean field theory, we show how electronic correlations increase the thermopower of Na$_{0.7}$CoO$_2$ by 200%. The newly revealed mechanism is an asymmetric shift of (quasi)…
Intrinsic, two-dimensional ferromagnetic semiconductors are an important class of materials for overcoming the limitations of dilute magnetic semiconductors for spintronics applications. CrSiTe$_3$ is a particularly interesting member of…
Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to…
This study aims to unravel the mechanism of colossal magnetoresistance (CMR) observed in n-type HgCr$_2$Se$_4$, in which low-density conduction electrons are exchange-coupled to a three-dimensional Heisenberg ferromagnet with a Curie…
Recent data from heavy ion collisions at RHIC show unexpectedly large near-angle correlations that broaden longitudinally with centrality. The amplitude of this ridge-like correlation rises rapidly with centrality, reaches a maximum, and…