Related papers: Spin-dependent optical excitations in LiFeO2
Present work demonstrates the formation of spin-orbital polarons in electron doped copper oxides, that arise due to doping-induced polarisation of the oxygen orbitals in the CuO$_2$ planes. The concept of such polarons is fundamentally…
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical…
We present the first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA). We find that spin plays a critical role for even the most basic properties of…
Oxygen molecule adsorptions on a Pu (100) surface have been studied in detail, using the generalized gradient approximation to density functional theory. Dissociative adsorption with a layer by layer alternate spin arrangement of the…
We study the frequency dependence of the electron self energy and the optical conductivity in a recently developed field theory of the spin density wave quantum phase transition in two dimensional metals. We focus on the interplay between…
The electronic structure of the ferromagnetic semiconductor EuO is investigated by means of spin- and angle-resolved photoemission spectroscopy (spin-ARPES) and density functional theory. EuO exhibits unique properties of hosting both…
Strong spin-lattice coupling and prominent frustration effects observed in the 50$\%$ Fe-doped frustrated hexagonal ($h$)LuMnO$_3$ are reported. A N\'{e}el transition at $T_{\mathrm N} \approx$ 112~K and a possible spin re-orientation…
The full monolayer of pentacene adsorbed on rutile TiO$_2$(110) provides an intriguing model to study charge-transfer excitations where the optically excited electrons and holes reside on different sides of the internal interface between…
We present a unified ab-initio study of electronic and optical properties of TiO2 rutile and anatase phases, with a combination of Density Functional Theory and Many Body Perturbation Theory techniques. The consistent treatment of…
The class of transition metal compounds shows an enormous richness of physical properties, such as metal-insulator transitions, colossal magneto-resistance, super-conductivity, magneto-optics and spin-depend transport. It now becomes more…
Complex systems with coexisting polarity, chirality and incommensurate magnetism are of great interest because they open new degrees of freedom in interaction between different subsystems and therefore they host a plethora of intriguing…
Upon reduction of the film thickness we observe a metal-insulator transition in epitaxially stabilized, spin-orbit coupled SrIrO$_3$ ultrathin films. By comparison of the experimental electronic dispersions with density functional theory at…
Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…
We explore the dielectric properties of spinor condensates. Gases with vector (nematic) order, such as spin-1 condensates with ferromagnetic (antiferromagnetic) interactions, display optical activity (birefringence). This optical…
The magnetic and optical properties of titanium dichalcogenide compounds, TiX$_2$ (X = S, Se and Te) have been calculated by first principles calculations using density functional theory (DFT) as implemented in SIESTA code. A 3x3 supercell…
Quantum oxide materials possess a vast range of properties stemming from the interplay between the lattice, charge, spin and orbital degrees of freedom, in which electron correlations often play an important role. Historically, the…
Magnetic rare-earth orthoferrites $R$FeO$_3$ host a variety of functional properties from multiferroicity and strong magnetostriction, to spin-reorientation transitions and ultrafast light-driven manipulation of magnetism, which can be…
Anatase TiO$_2$ is among the most studied materials for light-energy conversion applications, but the nature of its fundamental charge excitations is still unknown. Yet it is crucial to establish whether light absorption creates…
We investigate the optical properties of the normal state of the infinite-layer La$_{1-x}$Sr$_x$NiO$_2$ using DFT+DMFT. We find a correlated metal which exhibits substantial transfer of spectral weight to high energies relative to the…
We report on a systematic optical investigation of w\"ustite. In addition, the sample under consideration, Fe0.93O, has been characterized in detail by electrical transport, dielectric, magnetic and thermodynamic measurements. From infrared…