Search results for " electrons"
showing 10 items of 1168 documents
Creating stable Floquet–Weyl semimetals by laser-driving of 3D Dirac materials
2017
Nature Communications 8, 13940 (2017). doi:10.1038/ncomms13940
Influence of Twinning Microstructure of Crystals with Low Tetragonality on a X-Ray Diffraction
2001
The intensity distributions of the X-rays scattered in the tetragonal single crystal, which represent a complex of the twin domains separated by the coherent parallel boundaries, are simulated. The calculations are performed by using the Monte Carlo method within the framework of a kinematical approach. The thickness distributions of the twin domains are defined according to the geometrical, Gaussian and log normal functions. ‘Critical’ effects of the X-ray scattering are found, namely there is transformation of the tetragonal doublet into singlet or multiplet. As demonstrated, each of characteristics of the tetragonal doublet profile depends on a few parameters of the twin microstructure o…
Raman spectroscopy of formic acid and its dimers isolated in low temperature argon matrices
2009
Raman spectroscopy combined with matrix isolation technique was employed to study formic acid monomer and its dimers. Nine fundamentals of the HCOOH monomer were identified. Additionally, the OH torsion overtone is observed and it is engaged in Fermi resonance with the δCOH mode. Several bands of the cyclic (C2h) dimer were identified and assigned. The less stable open form (Cs) of the dimer was also present in the experiment. Three intermolecular modes for the cyclic and one mode for the open dimer were found in the low frequency region. The experimental studies were supported by harmonic and anharmonic DFT calculations.
Time-resolved buildup of twisted indirect exchange interaction in two-dimensional systems
2019
We study theoretically the time-domain dynamics of the spin-dependent Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between driven magnetic impurities localized in a spin-orbit-coupled two-dimensional system. Particular attention is given to the influence of the spin-orbit coupling (SOC) on the system's dynamical response to a time-dependent precessional motion of the localized magnetic moment. We show that, via the RKKY mechanism, a flip of the spin $z$ component of one localized moment affects all $x,\phantom{\rule{4pt}{0ex}}y$, and $z$ spin components of the other localized moment. The Friedel oscillations and the transient spin current triggered by the time-varying localized spin dep…
Diagrammatic expansion for positive density-response spectra: Application to the electron gas
2015
In a recent paper [Phys. Rev. B 90, 115134 (2014)] we put forward a diagrammatic expansion for the self-energy which guarantees the positivity of the spectral function. In this work we extend the theory to the density response function. We write the generic diagram for the density-response spectrum as the sum of partitions. In a partition the original diagram is evaluated using time-ordered Green's functions (GF) on the left-half of the diagram, antitime-ordered GF on the right-half of the diagram and lesser or greater GF gluing the two halves. As there exist more than one way to cut a diagram in two halves, to every diagram corresponds more than one partition. We recognize that the most co…
Quantum gap and spin-wave excitations in the Kitaev model on a triangular lattice
2017
We study the effects of quantum fluctuations on the dynamical generation of a gap and on the evolution of the spin-wave spectra of a frustrated magnet on a triangular lattice with bond-dependent Ising couplings, analog of the Kitaev honeycomb model. The quantum fluctuations lift the subextensive degeneracy of the classical ground-state manifold by a quantum order-by-disorder mechanism. Nearest-neighbor chains remain decoupled and the surviving discrete degeneracy of the ground state is protected by a hidden model symmetry. We show how the four-spin interaction, emergent from the fluctuations, generates a spin gap shifting the nodal lines of the linear spin-wave spectrum to finite energies.
Electronic and magnetic properties of VOCl/FeOCl antiferromagnetic heterobilayers
2021
We study the electronic properties of the heterobilayer of vanadium and iron oxychlorides, VOCl and FeOCl, two layered air stable van der Waals insulating oxides with different types of antiferromagnetic order in bulk: VOCl monolayers are ferromagnetic (FM) whereas the FeOCl monolayers are antiferromagnetic (AF). We use density functional theory (DFT) calculations, with Hubbard correction that is found to be needed to describe correctly the insulating nature of these compounds. We compute the magnetic anisotropy and propose a spin model Hamiltonian. Our calculations show that interlayer coupling in weak and ferromagnetic so that magnetic order of the monolayers is preserved in the heterobil…
Origin of the spin Seebeck effect in compensated ferrimagnets
2016
Magnons are the elementary excitations of a magnetically ordered system. In ferromagnets, only a single band of low-energy magnons needs to be considered, but in ferrimagnets the situation is more complex owing to different magnetic sublattices involved. In this case, low lying optical modes exist that can affect the dynamical response. Here we show that the spin Seebeck effect (SSE) is sensitive to the complexities of the magnon spectrum. The SSE is caused by thermally excited spin dynamics that are converted to a voltage by the inverse spin Hall effect at the interface to a heavy metal contact. By investigating the temperature dependence of the SSE in the ferrimagnet gadolinium iron garne…
GAUSSIAN EFFECTIVE POTENTIAL AND ANTIFERROMAGNETISM IN THE HUBBARD MODEL
2012
The Gaussian Effective Potential (GEP) is shown to be a useful variational tool for the study of the magnetic properties of strongly correlated electronic systems. The GEP is derived for a single band Hubbard model on a two-dimensional bi-partite square lattice in the strong coupling regime. At half-filling the antiferromagnetic order parameter emerges as the minimum of the effective potential with an accuracy which improves over RPA calculations and is very close to that achieved by Monte Carlo simulations. Extensions to other magnetic systems are discussed.
Large-scale ab initio modelling of defects in perovskites: Fe impurity in SrTiO3
2002
Abstract Using the unrestricted Hartree–Fock method and supercells containing up to 160 atoms, we calculated the energy level positions in the gap and atomic geometry for the Fe4+ impurity substituting for a host Ti atom in SrTiO3. In agreement with experiment, the high-spin (S=2) state is much lower in energy than the zero-spin state. The energy level positions strongly depend on the asymmetric displacement mode of the six nearest O ions which is a combination of the Jahn–Teller and breathing modes. A considerable covalent bonding between the Fe ion and the four nearest O ions takes place.