Related papers: Finite-Temperature Properties across the Charge Or…
Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…
The transition metal-oxygen bond appears prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form. Many of these…
We study the temperature dependence as well as anisotropy of optical conductivity ($\sigma_1$) in the pseudocubic single crystal Pr$_{0.5}$Ca$_{1.5}$MnO$_{4}$ using spectrocopic ellipsometry. Three transition temperatures are observed and…
A Green-function theory for the dynamic spin susceptibility in the square-lattice spin-1/2 antiferromagnetic compass-Heisenberg model employing a generalized mean-field approximation is presented. The theory describes magnetic long-range…
Around a metal-to-insulator transition driven by repulsive interaction (Mott transition) the single particle excitations and the collective excitations are equally important. Here we present results for the generic susceptibilities at zero…
We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu,…
We present a study of magnetic field induced quantum phase transitions in insulating systems. A generalized scaling theory is used to obtain the temperature dependence of several physical quantities along the quantum critical trajectory…
Spin-state ordering - a periodic pattern of ions with different spin-state configurations along a crystal lattice - is a rare phenomenon, and its possible interrelation with other electronic degrees of freedom remains little explored. Here…
Using the Kondo lattice model with classical spins in infinite dimension, conductivity in the perovskite-type $3d$ transition-metal oxide (La,Sr)MnO$_3$ is theoretically studied. Green's functions as well as spontaneous magnetization are…
We explore the effect of a (non) magnetic impurity on the thermal transport of the spin-1/2 Heisenberg chain model. This unique system allows to probe Kondo-type phenomena in a prototype strongly correlated system. Using numerical…
Resistive superconducting zero-field transition in amorphous In-O films in states from the vicinity of the insulator-superconductor transition is analyzed in terms of two characteristic temperatures: the upper one, $T_{c0}$, where the…
The structural, electrical transport and magnetic properties of perovskite oxides La1-xTexMnO3 have been investigated and thus the magnetic phase diagram of La1-xTexMnO3 compounds as a function of temperature and the doping level x has been…
Detailed experimental investigations of thermal and magnetic properties are presented for Cu(NH3)4SO4.H2O, an ideal uniform Heisenberg spin half chain compound. A comparison of these properties with relevant spin models is also presented.…
Finding microscopic models for metallic states that exhibit quantum critical properties such as $\omega/T$ scaling is a major theoretical challenge. We calculate the local dynamical spin susceptibility $\chi(T,\omega)$ for a Hubbard model…
We explore the charge transport mechanism in organic semiconductors based on a model that accounts for the thermal intermolecular disorder at work in pure crystalline compounds, as well as extrinsic sources of disorder that are present in…
We calculate the Kondo temperature ($T_K$) and crystal-field levels of strongly correlated multiorbital systems solving the Anderson Impurity Model with the finite U Non-Crossing Approximation (UNCA) in its simplest scheme, that is,…
Low-temperature thermodynamics of the classical frustrated ferromagnetic spin chain near the ferromagnet-helimagnet transition point is studied by means of mapping to the continuum limit. The calculation of the partition function and spin…
For many years a spin-state transition at $T \approx 100 K$ and insulator - metal transition (IMT) at $T_{IMT} \approx 600 K$ in LaCoO$_3 $ remains a mystery. Small low-spin - high-spin spin gap $\Delta _S = E\left( {HS} \right) - E\left(…
Metallic strontium titanate (SrTiO$_3$) is known to have both normal-state and superconducting properties that vary strongly over a wide range of charge carrier densities. This indicates the importance of nonlinear dynamics, and has…
We calculate the spin-drag transresistivity $\rho_{\uparrow \downarrow}(T)$ in a two-dimensional electron gas at temperature $T$ in the random phase approximation. In the low-temperature regime we show that, at variance with the…