A lattice dynamical treatment for the total potential energy of single-walled carbon nanotubes and its applications: relaxed equilibrium structure, elastic properties, and vibrational modes of ultra-narrow tubes

In this paper, we propose a lattice dynamic treatment for the total potential energy of single-walled carbon nanotubes (SWCNTs) which is, apart from a parameter for the nonlinear effects, extracted from the vibrational energy of the planar graphene sheet. The energetics, elasticity and lattice dynamics are treated in terms of the same set of force constants, independently of the tube structures. Based upon this proposal, we have investigated systematically the relaxed lattice configuration for narrow SWCNTs, the strain energy, the Young's modulus and Poisson ratio, and the lattice vibrational properties with respect to the relaxed equilibrium tubule structure. Our calculated results for various physical quantities are nicely in consistency with existing experimental measurements. In particular, we verified that the relaxation effect makes the bond length longer and the frequencies of various optical vibrational modes softer. Our calculation provides evidence that the Young's modulus of an armchair tube exceeds that of the planar graphene sheet, and that the large diameter limits of the Young's modulus and Poisson ratio are in agreement with the experimental values of graphite; the calculated radial breathing modes for ultra-narrow tubes with diameters ranging between 2 and 5 angstrom coincide with the experimental results and the existing ab initio calculations with satisfaction. For narrow tubes with a diameter of 20 angstrom, the calculated frequencies of optical modes in the tubule's tangential plane, as well as those of radial breathing modes, are also in good agreement with the experimental measurements. In addition, our calculation shows that various physical quantities of relaxed SWCNTs can actually be expanded in terms of the chiral angle defined for the corresponding ideal SWCNTs.

Lattice polarity detection of InN by circular photogalvanic effect

We report an effective and nondestructive method based on circular photogalvanic effect (CPGE) to detect the lattice polarity of InN. Because of the lattice inversion between In- and N-polar InN, the energy band spin splitting is opposite for InN films with different polarities. Consequently under light irradiation with the same helicity, CPGE photocurrents in In- and N-polar layers will have opposite directions, thus the polarity can be detected. This method is demonstrated by our CPGE measurements in both n- and p-type InN films.

Strain and magnetic anisotropy of as-grown and annealed Fe films on c(4x4) reconstructed GaAs (001) surface

Fe films with the different thicknesses were grown on c(4x4) reconstructed GaAs (001) surfaces at low temperature by molecular-beam epitaxy. Well-ordered bcc structural Fe epitaxial films are confirmed by x-ray diffraction patterns and high-resolution cross-sectional transmission electron microscopy images. A large lattice expansion perpendicular to the surface in Fe film is observed. In-plane uniaxial magnetic anisotropy is determined by the difference between magnetizing energy along [110] and [110] directions, and the constant of interfacial uniaxial magnetic anisotropy is calculated to be 1.02x10(-4) J m(-2). We also find that magnetic anisotropy is not obviously influenced after in situ annealing, but in-plane strain is completely changed.

Spin-Hall effect in the generalized honeycomb lattice with Rashba spin-orbit interaction

We study the spin-Hall effect in a generalized honeycomb lattice, which is described by a tight-binding Hamiltonian including the Rashba spin-orbit coupling and inversion-symmetry breaking terms brought about by a uniaxial pressure. The calculated spin-Hall conductance displays a series of exact or approximate plateaus for isotropic or anisotropic hopping integral parameters, respectively. We show that these plateaus are a consequence of the various Fermi-surface topologies when tuning epsilon(F). For the isotropic case, a consistent two-band analysis, as well as a Berry-phase interpretation. are also given. (C) 2009 Elsevier B.V. All rights reserved.

Dielectric relaxation and giant dielectric constant of Nb-doped CaCu3Ti4O12 ceramics under dc bias voltage

CaCu3Ti(4-x)Nb(x)O(12) (x = 0, 0.01, 0.08, 0.2) ceramics were fabricated by a conventional solid-state reaction method. The ceramics showed the body-centered cubic structure without any foreign phases and the grain size decreases with Nb doping. Two Debye-type relaxations were observed for the Nb-doped samples at low frequency and high frequency, respectively. The complex electric modulus analysis revealed that the surface layer, grains and grain boundaries contributed to the dielectric constant. The low-frequency dielectric constant relative to the surface layer decreased to a minimum and then increased with the dc bias voltage at 100 Hz, which were well explained in terms of a model containing two metal oxide semiconductors in series, confirming the surface layer in the ceramics. The shift voltage V-B corresponding to the minimal capacitance increased with increase of the composition x. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spin Hall effect on the kagome lattice with Rashba spin-orbit interaction

We study the spin Hall effect in the kagome lattice with Rashba spin-orbit coupling. The conserved spin Hall conductance sigma(s)(xy) (see text) and its two components, i.e., the conventional term sigma(s0)(xy) and the spin-torque-dipole term sigma(s tau)(xy), are numerically calculated, which show a series of plateaus as a function of the electron Fermi energy epsilon(F). A consistent two-band analysis, as well as a Berry-phase interpretation, is also given. We show that these plateaus are a consequence of various Fermi-surface topologies when tuning epsilon(F). In particular, we predict that compared to the case with the Fermi surface encircling the Gamma point in the Brillouin zone, the amplitude of the spin Hall conductance with the Fermi surface encircling the K points is twice enhanced, which makes it highly meaningful in the future to systematically carry out studies of the K-valley spintronics.

Nature of interfacial defects and their roles in strain relaxation at highly lattice mismatched 3C-SiC/Si (001) interface

Misfit defects in a 3C-SiC/Si (001) interface were investigated using a 200 kV high-resolution electron microscope with a point resolution of 0.194 nm. The [110] high-resolution electron microscopic images that do not directly reflect the crystal structure were transformed into the structure map through image deconvolution. Based on this analysis, four types of misfit dislocations at the 3C-SiC/Si (001) interface were determined. In turn, the strain relaxation mechanism was clarified through the generation of grow-in perfect misfit dislocations (including 90 degrees Lomer dislocations and 60 degrees shuffle dislocations) and 90 partial dislocations associated with stacking faults. (C) 2009 American Institute of Physics. [doi:10.1063/1.3234380]

Photoluminescence characteristics of GaAsSbN/GaAs epilayers lattice-matched to GaAs substrates

The photoluminescence (PL) characteristics of GaAsSbN/GaAs epilayers grown by molecular beam epitaxy (MBE) are carefully investigated. The results show that antimony (Sb) incorporation into GaNAs material has less influence on the N-induced localization states. For the same N concentration, GaAsSbN material can reach an emission wavelength near 1.3 mum more easily than GaInNAs material. The rapid thermal annealing (RTA) experiment shows that the annealing induced rearrangement of atoms and related blueshift in GaAsSbN epilayers are smaller than those in GaNAs and GaInNAs epilayers. The GaAsSbN material can keep a longer emission wavelength near 1.3 mum-emission even after the annealing treatment. Raman spectroscopy analysis gives further insight into the structure stability of GaAsSbN material after annealing. (C) 2004 Elsevier Ltd. All rights reserved.

Characterization of InAs quantum dots on lattice-matched InAlGaAs/InP superlattice structures

Self-assembled InAs quantum dots (QDs) in an InAlGaAs matrix, lattice-matched to InP substrate, have been grown by molecular beam epitaxy (MBE). Transmission electron microscopy (TEM), double-crystal X-ray diffraction (DCXRD) and photoluminescence (PL) are used to study their structural and optical properties. In InAs/InAlGaAs/ InP system, we propose that when the thickness of InAs layer deposited is small, the random strain distribution of the matrix layer results in the formation of tadpole-shaped QDs with tails towards random directions, while the QDs begin to turn into dome-shaped and then coalesce to form islands with larger size and lower density to release the increasing misfit strain with the continuous deposition of InAs. XRD rocking curves showing the reduced strain with increasing thickness of InAs layer may also support our notion. The results of PL measurements are in well agreement with that of TEM images. (C) 2004 Elsevier B.V. All rights reserved.

Effects of lattice vibration on the effective mass of quasi-two-dimensional strong-coupling polaron

The effects of lattice vibration on the system in which the electron is weakly coupled with bulk longitudinal optical phonons and strongly coupled with interface optical phonons in an infinite quantum well were studied by using Tokuda' linear-combination operator and a modified LLP variational method. The expressions for the effective mass of the polaron in a quantum well QW as functions of the well's width and temperature were derived. In particular, the law of the change of the vibration frequency of the polaron changing with well' s width and temperature are obtained. Numerical results of the effective mass and the vibration frequency of the polaron for KI/AgCl/Kl QW show that the vibration frequency and the effective mass of the polaron decrease with increasing well's width and temperature, but the contribution of the interaction between the electron and the different branches of phonons to the effective mass and the vibration frequency and the change of their variation with the well's width and temperature are greatly different.

Two-dimensional photonic band-gap defect modes with deformed lattice

A numerical study of the defect modes in two-dimensional photonic crystals with deformed triangular lattice is presented by using the supercell method and the finite-difference time-domain method. We find the stretch or shrink of the lattice can bring the change not only on the frequencies of the defect modes but also on their magnetic field distributions. We obtain the separation of the doubly degenerate dipole modes with the change of the lattice and find that both the stretch and the shrink of the lattice can make the dipole modes separate large enough to realize the single-mode emission. These results may be advantageous to the manufacture of photonic crystal lasers and provide a new way to realize the single-mode operation in photonic crystal lasers.

Evidence of ultrafast energy exchange-induced soft'mode of phonons and lattice instability: a nanotime effect

With a series of supportive experimental phenomena as induced by ion beam bombardment, energetic beaminduced athermal activation process in Si is demonstrated. This is correlated with phenomena induced by ultrafast energy exchange in condensed matter in general. A critical modelling is presented on the above process and a universal concept: the ultrafast energy exchange-induced soft mode of phonons and the lattice instability in condensed matter are proposed.

Calculation of propagation loss in photonic crystal waveguides by FDTD technique and Pade approximation

The propagation losses in single-line defect waveguides in a two-dimensional (2D) square-lattice photonic crystal (PC) consisted of infinite dielectric rods and a triangular-lattice photonic crystal slab with air holes are studied by finite-difference time-domain (FDTD) technique and a Pade approximation. The decaying constant beta of the fundamental guided mode is calculated from the mode frequency, the quality factor (Q-factor) and the group velocity v(g) as beta = omega/(2Qv(g)). In the 2D square-lattice photonic crystal waveguide (PCW), the decaying rate ranged from 10(3) to 10(-4) cm(-1) can be reliably obtained from 8 x 10(3)-item FDTD output with the FDTD computing time of 0.386 ps. And at most 1 ps is required for the mode with the Q-factor of 4 x 10(11) and the decaying rate of 10(-7) cm(-1). In the triangular-lattice photonic crystal slab, a 10(4)-item FDTD output is required to obtain a reliable spectrum with the Q-factor of 2.5 x 10(8) and the decaying rate of 0.05 cm(-1). (c) 2004 Elsevier B.V. All rights reserved.

A proposal for low cross-talk square-lattice photonic crystal waveguide intersection utilizing the symmetry of waveguide modes

We propose an approach to construct waveguide intersections with broad bandwidth and low cross-talk for square-lattice photonic crystals. by utilizing a vanishing overlap of the propagation modes in the waveguides created by defects which support dipole-like defect modes. The finite-difference time-domain method is used to simulate the waveguide intersection created in the two-dimensional square-lattice photonic crystals. Over a bandwidth of 30 nm with the center wavelength at 1300 nm, transmission efficiency above 90% is obtained with cross-talk below -30 dB. Especially, we demonstrate the transmission of a 500-fs pulse at 1.3 Am through the intersection, and the pulse after transmission shows very little distortion while the cross-talk remains at low level meantime. (c) 2006 Elsevier B.V. All rights reserved.

Influences of As flux on the lattice constants, magnetic and transport properties of (Ga, Mn)As epilayers

A series of (Ga, Mn)As epilayers have been prepared on semi-insulating GaAs (001) substrates at 230 degrees C by molecular-beam epitaxy under fixed temperatures of Ga and Mn cells and varied temperatures of the As cell. By systematically studying the lattice constants, magnetic and magneto-transport properties in a self-consistent manner, we find that the concentration of As antisites monotonically increases with increasing As flux, while the concentration of interstitial Mn defects decreases with it. Such a trend sensitively affects the properties of (Ga, Mn)As epilayers. (c) 2006 Elsevier Ltd. All rights reserved.