Related papers: Magnetic exchange interactions in SrMnO$_3$

We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…

This work builds a bridge between density functional theory (DFT) and model interpretations of Anderson's superexchange theory by constructing a $f$-$d$-$p$ model with DFT Wannier functions to enable a direct quantum many-body solution…

We examine the magnetic properties of the quasi 2D ferrimagnetic single crystal Mn3Si2Te6 (MST) through critical phenomena and magnetic entropy analysis in the easy axis (H || ab) as a function of proton irradiance. Employing a modified…

We analyse a specific two dimensional mixed spin Heisenberg model with exchange anisotropy, by means of high temperature expansions and Monte Carlo simulations. The goal is to describe the magnetic properties of the compound…

Using density functional theory (DFT), we calculate the magnetic short-ranged exchange forces between a magnetic tip and an adatom adsorbed on the antiferromagnetic Mn monolayer on the W(110) surface [Mn/W(110)]. These exchange forces can…

Light-matter interaction allows to achieve non-equilibrium states that are otherwise inaccessible. Motivated by recent experiments that report ferroelectricity -- and even multiferroicity -- in the prototypical diamagnetic band insulator…

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

First principles density functional theory (DFT) is used to investigate the electronic structure of \beta-MnO2. From collinear spin polarized calculations we find that DFT+U_Eff predicts a gapless ferromagnet in contrast with experiment…

We present a first-principles approach to describe magnetic and superconducting systems and the phenomena of competition between these electronic effects. We develop a density functional theory: SpinSCDFT, by extending the Hohenberg-Kohn…

Based on classical density functional theory (DFT), we investigate the demixing phase transition of a two-dimensional, binary Heisenberg fluid mixture. The particles in the mixture are modeled as Gaussian soft spheres, where one component…

We use Monte Carlo and Transfer Matrix methods in combination with extrapolation schemes to determine the phase diagram of the 2D super-antiferromagnetic (SAF) Ising model with next-nearest-neighbor (nnn) interactions in a magnetic field.…

The magnetic excitations of the double exchange (DE) model are usually discussed in terms of an equivalent ferromagnetic Heisenberg model. We argue that this equivalence is valid only at a quasi--classical level -- both quantum and thermal…

For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each…

We study exchange interactions in iron and nickel within the DFT+DMFT approach with density-density and SU(2) symmetric Coulomb interaction. In particular, we analyze the representation of exchange interactions through the electron…

We study how strain affects orbital ordering and magnetism at the interface between SrMnO$_3$ and LaMnO$_3$ from density-functional calculations and interpret the basic results in terms of a three-site Mn-O-Mn model. Magnetic interaction…

Evidence for multiple magnetic transitions and unconventional spin exchange interactions in the ilmenite insulator MnTiO3 is provided via neutron scattering. On cooling, while G-type antiferromagnetic (AFM) order sets in first at 63 K with…

We present an experimental study of macroscopic and microscopic magnetic anisotropy of a spin tetramer system \cso using torque magnetometry and ESR spectroscopy. Large rotation of macroscopic magnetic axes with temperature observed from…

We have considered the $S=1/2$ antiferromagnetic Heisenberg model in two dimensions, with an additional Ising \nnn interaction. Antiferromagnetic \nnn interactions will lead to frustration, and the system responds with flipping the spins…

SrCr$_2$As$_2$ is an itinerant antiferromagnet in the same structural family as the SrFe$_2$As$_2$ high-temperature superconductors. We report our calculations of exchange-coupling parameters $J_{ij}$ for SrCr$_2$As$_2$ using a static…

Charge transfer in superlattices consisting of SrIrO$_3$ and SrMnO$_3$ is investigated using density functional theory. Despite the nearly identical work function and non-polar interfaces between SrIrO$_3$ and SrMnO$_3$, rather large charge…