Search results for "Orbit"
showing 10 items of 1104 documents
Density functional study of alkali-metal atoms and monolayers on graphite (0001)
2007
Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site (graphite hexagon), with Li lying closest to (1.84 ��) and Cs farthest (3.75 ��) from the surface. The adsorption energies range between $0.55-1.21$ eV, and the energy ordering of the alkali adatoms is Li$>$Cs$\ge$Rb$\ge$K$>$Na. The small diffusion barriers (0.02-0.21 eV for the C-C bridge) decrease as the atom size increases, indicating a flat potential energy surface. The formation (cohesion) energies of (2$\times$2) monolayers range between 0.55-0.81 …
Spin-orbit torques in locally and globally non-centrosymmetric crystals: Antiferromagnets and ferromagnets
2016
One of the main obstacles that prevents practical applications of antiferromagnets is the difficulty of manipulating the magnetic order parameter. Recently, following the theoretical prediction [J. \v{Z}elezn\'y et al., PRL 113, 157201 (2014)], the electrical switching of magnetic moments in an antiferromagnet has been demonstrated [P. Wadley et al., Science 351, 587 (2016)]. The switching is due to the so-called spin-orbit torque, which has been extensively studied in ferromagnets. In this phenomena a non-equilibrium spin-polarization exchange coupled to the ordered local moments is induced by current, hence exerting a torque on the order parameter. Here we give a general systematic analys…
Orbitronics: orbital currents in solids
2021
In solids, electronic Bloch states are formed by atomic orbitals. While it is natural to expect that orbital composition and information about Bloch states can be manipulated and transported, in analogy to the spin degree of freedom extensively studied in past decades, it has been assumed that orbital quenching by the crystal field prevents significant dynamics of orbital degrees of freedom. However, recent studies reveal that an orbital current, given by the flow of electrons with a finite orbital angular momentum, can be electrically generated and transported in wide classes of materials despite the effect of orbital quenching in the ground state. Orbital currents also play a fundamental …
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…
Ballistic transport through quantum point contacts of multi-orbital oxides
2020
Linear and non-linear transport properties through an atomic-size point contact based on oxides two-dimensional electron gas is examined using the tight-binding method and the $\mathbf{k\cdot p}$ approach. The ballistic transport is analyzed in contacts realized at the (001) interface between band insulators $LaAlO_3$ and $SrTiO_3$ by using the Landauer-B\"uttiker method for many sub-bands derived from three Ti 3d orbitals ($d_{yz}$, $d_{zx}$ and $d_{xy}$) in the presence of an out-of-plane magnetic field. We focus especially on the role played by the atomic spin-orbit coupling and the inversion symmetry breaking term pointing out three transport regimes: the first, at low energies, involvi…
Parameter-free density functional for the correlation energy in two dimensions
2010
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of density-functional theory. For two-dimensional systems we can achieve this goal by generalizing our previous approximation [Phys. Rev. B 79, 085316 (2009)] to a parameter-free form, which reproduces the correlation energy of the homogeneous gas while preserving the ability to deal with inhomogeneous systems. The resulting functional is shown to be very accurate for finite systems with an arbitrary number of electrons with respect to numerically exact refer…
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 …
Mixed topology ring states for Hall effect and orbital magnetism in skyrmions of Weyl semimetals
2020
Skyrmion lattices as a novel type of chiral spin states are attracting increasing attention, owing to their peculiar properties stemming from real-space topological properties. At the same time, the properties of magnetic Weyl semimetals with complex $k$-space topology are moving into the focus of research in spintronics. We consider the Hall transport properties and orbital magnetism of skyrmion lattices imprinted in topological semimetals, by employing a minimal model of a 2D mixed Weyl semimetal which, as a function of the magnetization direction, exhibits two Chern insulator phases separated by a Weyl state for an an in-plane magnetization direction. We find that while the orbital magne…
Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures
2010
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron problem. In particular, we show that spin-density functionals in the class of meta-generalized-gradient approximations can be greatly simplified by reducing the explicit dependence on the Kohn-Sham orbitals to the dependence on the electron spin density and its spatial derivatives. Tests on various quantum-dot systems show that the overall accuracy is well preserved, if not even improved, by the modifications.
Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy
2017
We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the $R_{1-x}$Ca$_x$VO$_3$ perovskites, where $R=$La,$\dots$,Lu. A fundamental characteristic of these vanadium $d^2$ compounds with partly filled $t_{2g}$ valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-$T_c$ cuprates at low defect concentration. We demonstrate that the disordered electronic structure of doped Mott-Hubbard insulators can be obtained with high precision within the unrestricted Hartree-Fock appro…