Search results for "Interaction"
showing 10 items of 5710 documents
Comparison of first-principles methods to extract magnetic parameters in ultra-thin films: Co/Pt(111)
2019
We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111), namely, (i) the method of infinitesimal rotations of magnetic moments based on the Korringa-Kohn-Rostoker (KKR) Green function method, (ii) the generalized Bloch theorem applied to spiraling magnetic structures and (iii) supercell calculations with noncollinear magnetic moments, the latter two being based on the full-potential linearized augmented plane wave (FLAPW) method. In particular, we show that the magnetic interaction parameters entering micromagnetic …
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
2009
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the exchange-correlation energy functional. Furthermore, the need for properly describing current-carrying states represents an additional challenge for the development of approximate functionals. In order to make progress along these directions, we show that simple and efficient expressions for the exchange energy can be obtained by considering the short-range behavior of the one-body spin-density matrix. Applications to several two-dimensional systems confirm…
Orbital-free energy functional for electrons in two dimensions
2009
We derive a non-empirical, orbital-free density functional for the total energy of interacting electrons in two dimensions. The functional consists of a local formula for the interaction energy, where we follow the lines introduced by Parr for three-dimensional systems [R. G. Parr, J. Phys. Chem. 92, 3060 (1988)], and the Thomas-Fermi approximation for the kinetic energy. The freedom from orbitals and from the Hartree integral makes the proposed approximation numerically highly efficient. The total energies obtained for confined two-dimensional systems are in a good agreement with the standard local-density approximation within density-functional theory, and considerably more accurate than …
Spin-orbit-coupling induced torque in ballistic domain walls: equivalence of charge-pumping and nonequilibrium magnetization formalisms
2016
To study the effect of spin-orbit coupling (SOC) on spin-transfer torque in magnetic materials, we have implemented two theoretical formalisms that can accommodate SOC. Using the "charge-pumping" formalism, we find two contributions to the out-of-plane spin-transfer torque parameter $\beta$ in ballistic Ni domain walls (DWs). For short DWs, the nonadiabatic reflection of conduction electrons caused by the rapid spatial variation of the exchange potential results in an out-of-plane torque that increases rapidly with decreasing DW length. For long DWs, the Fermi level conduction channel anisotropy that gives rise to an intrinsic DW resistance in the presence of SOC leads to a linear dependenc…
Chaotic Cyclotron and Hall Trajectories Due to Spin-Orbit Coupling
2020
We demonstrate that the synergistic effect of a gauge field, Rashba spin-orbit coupling (SOC), and Zeeman splitting can generate chaotic cyclotron and Hall trajectories of particles. The physical origin of the chaotic behavior is that the SOC produces a spin-dependent (so-called anomalous) contribution to the particle velocity and the presence of Zeeman field reduces the number of integrals of motion. By using analytical and numerical arguments, we study the conditions of chaos emergence and report the dynamics both in the regular and chaotic regimes. {We observe the critical dependence of the dynamic patterns (such as the chaotic regime onset) on small variations in the initial conditions …
Beyond the Heisenberg Model: Anisotropic Exchange Interaction between a Cu-Tetraazaporphyrin Monolayer andFe3O4(100)
2013
The exchange coupling of a single spin localized at the central ion of Cu-tetraazaporphyrin on a magnetite(100) surface has been studied using x-ray magnetic circular dichroism (XMCD). Sum rule analysis of the XMCD spectra results in Cu spin and orbital magnetic moments as a function of the applied external field at low temperatures (20 K). The exchange coupling is positive for magnetization direction perpendicular to the surface (ferromagnetic) while it is negative for in-plane magnetization direction (antiferromagnetic). We attribute the anisotropy of the Heisenberg exchange coupling to an orbitally dependent exchange Hamiltonian.
Measurements of Multi-boson production, Trilinear and Quartic Gauge Couplings with the ATLAS detector
2016
The ATLAS collaboration has carried a set of measurements that provide stringent tests of the electroweak sector of Standard Model, specifically on di- and multi-boson production cross sections and on triple and quartic gauge-boson couplings. Such measurements include cross sections for WV (V=W or Z) production in the leptonic or semileptonic channels, the production of a W or Z boson in association with photons, a Z boson in the vector-boson fusion channel and two same-charge W bosons in the vector-boson scattering channel. These measurements are compared to (N)NLO predictions of the Standard Model and provide model-independent constraints on new physics, by setting limits on anomalous gau…
Dynamical Casimir-Polder interaction between an atom and surface plasmons
2013
We investigate the time-dependent Casimir-Polder potential of a polarizable two-level atom placed near a surface of arbitrary material, after a sudden change in the parameters of the system. Different initial conditions are taken into account. For an initially bare ground-state atom, the time-dependent Casimir-Polder energy reveals how the atom is "being dressed" by virtual, matter-assisted photons. We also study the transient behavior of the Casimir-Polder interaction between the atom and the surface starting from a partially dressed state, after an externally induced change in the atomic level structure or transition dipoles. The Heisenberg equations are solved through an iterative techni…
On the theoretical analysis of the lowest many-electron states for cyclic zigzag graphene nano-ribbons
2014
We have calculated the optical and magnetic properties of the four lowest many-body states for cyclic zigzag graphene nano-ribbons (GNRs). The results have been obtained within the semi-empirical restricted frozen Hartree?Fock approximation. Firstly, we obtained one-determinant numerical and analytical coincident results. We detected the existence of two degenerate open-shell molecular orbitals (MOs) o, o?. Due to this degeneracy, some of the mentioned results do depend on any (arbitrary) orthogonal transformation between these two MOs. We have improved these preliminary results by using linear combinations of two determinants, which are eigenfunctions of the operators, which commute with t…
Understanding the Giant Enhancement of Exchange Interaction in Bi2Se3−EuS Heterostructures
2017
A recent experiment indicated that a ferromagnetic EuS film in contact with a topological insulator ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ might show a largely enhanced Curie temperature and perpendicular magnetic anisotropy [F. Katmis et al., Nature (London) 533, 513 (2016).]. Through systematic density functional calculations, we demonstrate that in addition to the factor that ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ has a strong spin orbit coupling, the topological surface states are crucial to make these unusual behaviors robust as they hybridize with EuS states and extend rather far into the magnetic layers. The magnetic moments of Eu atoms are nevertheless not much enhanced, unlike what was…