Theory of spin-orbit coupling in bilayer graphene

Theory of spin-orbit coupling in bilayer graphene is presented. The electronic band structure of the AB bilayer in the presence of spin-orbit coupling and a transverse electric field is calculated from first-principles using the linearized augmented plane wave method implemented in the WIEN2k code. The first-principles results around the K points are fitted to a tight-binding model. The main conclusion is that the spin-orbit effects in bilayer graphene derive essentially from the single-layer spin-orbit coupling which comes almost solely from the d orbitals. The intrinsic spin-orbit splitting (anticrossing) around the K points is about 24\mu eV for the low-energy valence and conduction bands, which are closest to the Fermi level, similarly as in the single layer graphene. An applied transverse electric field breaks space inversion symmetry and leads to an extrinsic (also called Bychkov-Rashba) spin-orbit splitting. This splitting is usually linearly proportional to the electric field. The peculiarity of graphene bilayer is that the low-energy bands remain split by 24\mu eV independently of the applied external field. The electric field, instead, opens a semiconducting band gap separating these low-energy bands. The remaining two high-energy bands are spin-split in proportion to the electric field; the proportionality coefficient is given by the second intrinsic spin-orbit coupling, whose value is 20\mu eV. All the band-structure effects and their spin splittings can be explained by our tight-binding model, in which the spin-orbit Hamiltonian is derived from symmetry considerations. The magnitudes of intra- and interlayer couplings---their values are similar to the single-layer graphene ones---are determined by fitting to first-principles results.Comment: 16 pages, 13 figures, 5 tables, typos corrected, published versio

Measurement of Electron-Optical Parameters for High-Resolution Electron Microscopy Image Interpretation

A method is presented to measure various electron-optical parameters needed for high-resolution electron microscopy image interpretation with high accuracy. The method is based on the measurement of a series of beam-tilt induced image displacements. The displacements are calculated via cross-correlation of the images, and subsequently fitted to a third-order polynomal in the beam tilt. From two series of images (using the x and y beam tilt coils), the spherical aberration constant of the microscope can be measured, as well as the current values of defocus, beam tilt and astigmatism. The spherical aberration constant of three Philips microscopes is measured with a precision better than 1 %, apart from calibration errors.The misalignment in the reference image (i.e. without induced beam tilt) can be measured with an absolute accuracy of 0.05 mrad, while the accuracy in the measured defocus value is 5 nm (at a magnification of 250,000). A computer is used to direct the experiments via remote control of the microscope and perform fast image processing to calculate the cross-correlations

Tetrahedral Symmetry in Ground- and Low-Lying States of Exotic A ~ 110 Nuclei

Recent theoretical calculations predict a possible existence of nuclei with tetrahedral symmetry: more precisely, the mean-field hamiltonians of such nuclei are symmetric with respect to double point-group Td. In this paper, we focus on the neutron-rich Zirconium isotopes as an example and present realistic mean-field calculations which predict tetrahedral ground-state configurations in 108,110Zr and low-lying excited states of tetrahedral symmetry in a number of N > 66 isotopes. The motivations for focusing on these nuclei, as well as a discussion of the possible experimental signatures of tetrahedral symmetry are also presented.Comment: Accepted in Phys. Rev. C - Rapid Communication

Nuclear Tetrahedral Symmetry: Possibly Present Throughout the Periodic Table

More than half a century after the fundamental, spherical shell structure in nuclei has been established, theoretical predictions indicate that the shell-gaps comparable or even stronger than those at spherical shapes may exist. Group-theoretical analysis supported by realistic mean-field calculations indicate that the corresponding nuclei are characterized by the $T_d^D$ ('double-tetrahedral') group of symmetry, exact or approximate. The corresponding strong shell-gap structure is markedly enhanced by the existence of the 4-dimensional irreducible representations of the group in question and consequently it can be seen as a geometrical effect that does not depend on a particular realization of the mean-field. Possibilities of discovering the corresponding symmetry in experiment are discussed.Comment: 4 pages in LaTeX and 4 figures in eps forma

Invariant expansion for the trigonal band structure of graphene

We present a symmetry analysis of the trigonal band structure in graphene, elucidating the transformational properties of the underlying basis functions and the crucial role of time-reversal invariance. Group theory is used to derive an invariant expansion of the Hamiltonian for electron states near the K points of the graphene Brillouin zone. Besides yielding the characteristic k-linear dispersion and higher-order corrections to it, this approach enables the systematic incorporation of all terms arising from external electric and magnetic fields, strain, and spin-orbit coupling up to any desired order. Several new contributions are found, in addition to reproducing results obtained previously within tight-binding calculations. Physical ramifications of these new terms are discussed.Comment: 10 pages, 1 figure; expanded version with more details and additional result

Effective calculation of LEED intensities using symmetry-adapted functions

The calculation of LEED intensities in a spherical-wave representation can be substantially simplified by symmetry relations. The wave field around each atom is expanded in symmetry-adapted functions where the local point symmetry of the atomic site applies. For overlayer systems with more than one atom per unit cell symmetry-adapted functions can be used when the division of the crystal into monoatomic subplanes is replaced by division into subplanes containing all symmetrically equivalent atomic positions

Spin Density Matrix of Spin-3/2 Hole Systems

For hole systems with an effective spin j=3/2, we present an invariant decomposition of the spin density matrix that can be interpreted as a multipole expansion. The charge density corresponds to the monopole moment and the spin polarization due to a magnetic field corresponds to a dipole moment while heavy hole-light hole splitting can be interpreted as a quadrupole moment. For quasi two-dimensional hole systems in the presence of an in-plane magnetic field B the spin polarization is a higher-order effect that is typically much smaller than one even if the minority spin subband is completely depopulated. On the other hand, the field B can induce a substantial octupole moment which is a unique feature of j=3/2 hole systems.Comment: 8 pages, 1 figure, 3 table

Steady-state spin densities and currents

This article reviews steady-state spin densities and spin currents in materials with strong spin-orbit interactions. These phenomena are intimately related to spin precession due to spin-orbit coupling which has no equivalent in the steady state of charge distributions. The focus will be initially on effects originating from the band structure. In this case spin densities arise in an electric field because a component of each spin is conserved during precession. Spin currents arise because a component of each spin is continually precessing. These two phenomena are due to independent contributions to the steady-state density matrix, and scattering between the conserved and precessing spin distributions has important consequences for spin dynamics and spin-related effects in general. In the latter part of the article extrinsic effects such as skew scattering and side jump will be discussed, and it will be shown that these effects are also modified considerably by spin precession. Theoretical and experimental progress in all areas will be reviewed