Related papers: Hyperfine structure of Sc@C82 from ESR and DFT

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…

We construct a spin-drift-diffusion model to describe spin-polarized electron transport in zincblende semiconductors in the presence of magnetic fields, electric fields, and off-diagonal strain. We present predictions of the model for…

Ultra-thin film of FeRh on insulator MgO substrate has been investigated usingab-initio electronic structure calculations. From this calculation, we have found the interesting effect of epitaxial strain on the magnetocrystalline anisotropy…

Perpendicular magnetic anisotropy of the new ferromagnetic semiconductor (Ba,K)(Zn,Mn)$_{2}$As$_{2}$ is studied by angle-dependent x-ray magnetic circular dichroism measurements. The large magnetic anisotropy with the anisotropy field of…

Low-symmetry two-dimensional (2D) topological materials such as MoTe$_2$ host efficient charge-to-spin conversion (CSC) mechanisms that can be harnessed for novel electronic and spintronic devices. However, the nature of the various CSC…

We present a comparative study of the spatial distribution of the spin density (SD) of the ground state of CuCl2 using Density Functional Theory (DFT), quantum Monte Carlo (QMC), and post-Hartree-Fock wavefunction theory (WFT). A number of…

Conduction Electron Spin Resonance (CESR) was measured on a thick slab of CaC6 in the normal and superconducting state. A surprising increase of the CESR intensity below Tc can not be explained by the theoretically predicted change in spin…

The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4 and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S =…

Thermal conductivity measurements can provide key and experimentally verifiable insight into the electronic transport of unconventional superconductors. In this work, electronic thermal transport of two-dimensional tight-binding metallic…

A series of endofullerenes M@C60 were calculated from the first principles (unrestricted Hartree Fock and DFT B3LYP) methods with effective core potential (M = Ag, Cs) and all-electronic basis set (M = Li, Na, Cu). An arbitrary symmetry…

A fourteen-fold anisotropy in the spin transport efficiency parallel and perpendicular to the charge transport is observed in a vertically-biased (Ga,Mn)As-based spin-polarized light emitting diode. The spin polarization is determined by…

A systematic field-theory approach to Electron Spin Resonance (ESR) in the $S=1/2$ quantum antiferromagnetic chain at low temperature $T$ (compared to the exchange coupling $J$) is developed. In particular, effects of a transverse staggered…

We use polarized inelastic neutron scattering (INS) to study spin excitations in superconducting NaFe0.985Co0.015As (C15) with static antiferromagnetic (AF) order along the a-axis of the orthorhombic structure and NaFe0.935Co0.045As (C45)…

We present high-precision spectroscopy of the ground-state hyperfine structure of HD$^+$ at 4~T. We determine the bound-electron $g$ factor, $g_{e,\mathrm{bound}} = -2.002\,278\,540\,96(40)$, to a relative uncertainty of…

The pathway toward the tailored synthesis of materials starts with precise characterization of the conformational properties and dynamics of individual molecules. Electron spin resonance based scanning tunneling microscopy can potentially…

Spin-dependent transport through an endohedral fullerene Co@C$_{60}$ dimer with gold electrodes is explored theoretically using density functional and extended H\"{u}ckel theory. Density of states spin polarizations up to 95%, due to…

We present the results of calculations of outer shell non-dipole angular anisotropy parameters for semi-filled shell atoms in the Hartree-Fock (HF) one-electron approximation and with account of inter-electron correlations in the frame of…

The static transverse and longitudinal correlation functions (CF) of a 3-dimensional ferromagnet are calculated for the exactly solvable anisotropic spherical model (ASM) determined as the limit D \to \infty of the classical D-component…

In the isostructural oxides Ca3CoMO6 (M = Co, Rh, Ir), the CoMO6 chains made up of face-sharing CoO6 trigonal prisms and MO6 octahedra are separated by Ca atoms. We analyzed the magnetic and electronic properties of these oxides on the…

We study the electron spin resonance (ESR) of low-dimensional spin systems at high temperature, and test the Kubo-Tomita theory of exchange narrowing. In finite-size systems (molecular magnets), we found a double-peak resonance which…