Related papers: Interatomic exchange coupling of BCC iron
We present a detailed first principles study of Fe-pnictides with particular emphasis on competing magnetic interactions, structural phase transition, giant magneto-elastic coupling and its effect on phonons. The exchange interactions…
We present an experimental study of electron-electron exchange interaction in self-assembled CdTe/ZnTe quantum dots based on the photoluminescence measurements. The character and strength of this interaction are obtained by simultaneous…
Within the framework of the lattice-statics and static fluctuation-wave methods, the available energies of strain-induced interaction of interstitial-interstitial, interstitial-substitutional and substitutional-substitutional impurity…
We investigate the numerical accuracy of the extended Koopmans's theorem (EKT) in reproducing the full configuration interaction (FCI) and complete active-space configuration interaction (CAS-CI) ionization energies (IEs) of atomic and…
We argue on the basis of experimental numbers that the B=0 metal-insulator transition in two dimensions, observed in Si-MOSFETs and in other two-dimensional systems, is likely to be due to a few strongly interacting electrons, which also…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
Exchange interaction strongly influences the long-range behavior of localized electron orbitals and quantum tunneling amplitudes.In the Hartree-Fock approximation the exchange produces a power-law decay instead of the usual exponential…
We investigate the elastic and isotropic aggregate properties of ferromagnetic bcc iron as a function of temperature and pressure by computing the Helmholtz free energies for the volume-conserving strained structures using the…
We report on an atomic-scale X-ray Photon Correlation Spectroscopy study on Fe-rich FeAl in the B2-ordered regime revealing effective <111>-exchanges of atoms on the Al-sublattice. The diffusion mechanism responsible for these exchanges is…
The preference for the occupation of solute atoms like B, C, N, and O at various sites in iron is generally explained by the size of the solute and the volume available for the solute atoms to occupy. Such an explanation based on the size…
Point defects in body-centred cubic Fe, Cr and concentrated random magnetic Fe-Cr are investigated using density functional theory and theory of elasticity. The volume of a substitutional Cr atom in ferromagnetic bcc Fe is approximately…
The interacting electron and hole in transition-metal dichalcogenides is considered. For investigation of the interaction between electron and hole we obtain the Bethe-Salpeter equation for two interacting Dirac particles. The dependence of…
In this work, the exchange energy J for a system of two laterally-coupled quantum dots, each one with an electron, is calculated analytically and in a detailed form, considering them as hydrogen-like atoms, under the Heitler-London…
Layered magnets have recently received tremendous attention, however, spin-exchange coupling mechanism across their interlayer regions is yet to be revealed. Here, we report a Bethe-Slater-curve (BSC) like behavior in nine transition metal…
Shrinking spintronic devices to the nanoscale ultimately requires localized control of individual atomic magnetic moments. At these length scales, the exchange interaction plays important roles, such as in the stabilization of…
We study electron-electron interaction effects in the thermodynamic properties of quantum-dot systems. We obtain the direct and exchange contributions to the specific heat C_v in the self-consistent Hartree-Fock approximation at finite…
We study the phase diagram of a two-dimensional assembly of bosons interacting via a soft core repulsive pair potential of varying strength, and compare it to that of the equivalent system in which particles are regarded as distinguishable.…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals and quantum tunneling amplitudes. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual…
Cooperative ring-exchange is suggested as a mechanism of quantum melting of vortex lattices in a rapidly-rotating quasi two dimensional atomic Bose-Einstein condensate (BEC). Using an approach pioneered by Kivelson et al. [Phys. Rev. Lett.…
The microscopic theory of chemical reactions is based on transition state theory, where atoms or ions transfer classically over an energy barrier, as electrons maintain their ground state. Electron transfer is fundamentally different and…