An {\it ab initio} study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface

Magnetism at the nanoscale has been a very active research area in the past decades, because of its novel fundamental physics and exciting potential applications. We have recently performed an {\it ab intio} study of the structural, electronic and magnetic properties of all 3$d$ transition metal (TM) freestanding atomic chains and found that Fe and Ni nanowires have a giant magnetic anisotropy energy (MAE), indicating that these nanowires would have applications in high density magnetic data storages. In this paper, we perform density functional calculations for the Fe, Co and Ni linear atomic chains on Cu(001) surface within the generalized gradient approximation, in order to investigate how the substrates would affect the magnetic properties of the nanowires. We find that Fe, Co and Ni linear chains on Cu(001) surface still have a stable or metastable ferromagnetic state. When spin-orbit coupling (SOC) is included, the spin magnetic moments remain almost unchanged, due to the weakness of SOC in 3$d$ TM chains, whilst significant orbital magnetic moments appear and also are direction-dependent. Finally, we find that the MAE for Fe, and Co remains large, i.e., being not much affected by the presence of Cu substrate.Comment: 4 pages, 2 figure

Magnetic moment and magnetic anisotropy of linear and zigzag 4{\it d} and 5{\it d} transition metal nanowires: First-principles calculations

An extensive {\it ab initio} study of the physical properties of both linear and zigzag atomic chains of all 4$d$ and 5$d$ transition metals (TM) within the GGA by using the accurate PAW method, has been carried out. All the TM linear chains are found to be unstable against the corresponding zigzag structures. All the TM chains, except Nb, Ag and La, have a stable (or metastable) magnetic state in either the linear or zigzag or both structures. Magnetic states appear also in the sufficiently stretched Nb and La linear chains and in the largely compressed Y and La chains. The spin magnetic moments in the Mo, Tc, Ru, Rh, W, Re chains could be large ($\geq$1.0 $\mu_B$/atom). Structural transformation from the linear to zigzag chains could suppress the magnetism already in the linear chain, induce the magnetism in the zigzag structure, and also cause a change of the magnetic state (ferromagnetic to antiferroamgetic or vice verse). The calculations including the spin-orbit coupling reveal that the orbital moments in the Zr, Tc, Ru, Rh, Pd, Hf, Ta, W, Re, Os, Ir and Pt chains could be rather large ($\geq$0.1 $\mu_B$/atom). Importantly, large magnetic anisotropy energy ($\geq$1.0 meV/atom) is found in most of the magnetic TM chains, suggesting that these nanowires could have fascinating applications in ultrahigh density magnetic memories and hard disks. In particular, giant magnetic anisotropy energy ($\geq$10.0 meV/atom) could appear in the Ru, Re, Rh, and Ir chains. Furthermore, the magnetic anisotropy energy in several elongated linear chains could be as large as 40.0 meV/atom. A spin-reorientation transition occurs in the Ru, Ir, Ta, Zr, La and Zr, Ru, La, Ta and Ir linear chains when they are elongated. Remarkably, all the 5$d$ as well as Tc and Pd chains show the colossal magnetic anisotropy (i.e., it is impossible to rotate magnetization into certain directions). Finally, the electronic band structure and density of states of the nanowires have also been calculated in order to understand the electronic origin of the large magnetic anisotropy and orbital magnetic moment as well as to estimate the conduction electron spin polarization.Comment: To appear in Phys. Rev.

Analysis of the Flow About Delta Wings with Leading Edge Separation at Supersonic Speeds

A research program was conducted to develop an improved theoretical flow model for the flow about sharp edge delta wings with leading-edge separation at supersonic speeds. The flow model incorporates a representation of the secondary separation region which occurs just inboard of the leading edge on such wings and is based on a slender-wing theory whereby the full three-dimensional problem is reduced to a quasi two-dimensional problem in the cross-flow plane. The secondary separation region was modeled by a surface distribution of singularities or a linearized type of cavity representation. The primary vortex and separation were modeled by a concentrated vortex and cut in the cross-flow potential which represents its feeding sheet. The cross-flow solutions for the cavity model were obtained, but these solutions have physical significance only in a very restricted range of angle of attack. The reasons for the failure of the flow model are discussed. The analysis is presented so that other interested researchers may critically review the work

Navier-Stokes calculations for the vortex of a rotor in hover

An efficient finite-difference scheme for the solution of the incompressible Navier-Stokes equation is used to study the vortex wake of a rotor in hover. The solution Procedure uses a vorticity-stream function formulation and incorporates an asymptotic far-field boundary condition enabling the size of the computational domain to be reduced in comparison to other methods. The results from the present method are compared with experimental data obtained by smoke flow visualization and hot-wire measurements for several rotor blade configurations

Quasi-Local Energy Flux of Spacetime Perturbation

A general expression for quasi-local energy flux for spacetime perturbation is derived from covariant Hamiltonian formulation using functional differentiability and symplectic structure invariance, which is independent of the choice of the canonical variables and the possible boundary terms one initially puts into the Lagrangian in the diffeomorphism invariant theories. The energy flux expression depends on a displacement vector field and the 2-surface under consideration. We apply and test the expression in Vaidya spacetime. At null infinity the expression leads to the Bondi type energy flux obtained by Lindquist, Schwartz and Misner. On dynamical horizons with a particular choice of the displacement vector, it gives the area balance law obtained by Ashtekar and Krishnan.Comment: 8 pages, added appendix, version to appear in Phys. Rev.

Heavy Quark Mass Effects in Deep Inelastic Scattering and Global QCD Analysis

A new implementation of the general PQCD formalism of Collins, including heavy quark mass effects, is described. Important features that contribute to the accuracy and efficiency of the calculation of both neutral current (NC) and charged current (CC) processess are explicitly discussed. This new implementation is applied to the global analysis of the full HERA I data sets on NC and CC cross sections, with correlated systematic errors, in conjunction with the usual fixed-target and hadron collider data sets. By using a variety of parametrizations to explore the parton parameter space, robust new parton distribution function (PDF) sets (CTEQ6.5) are obtained. The new quark distributions are consistently higher in the region x ~ 10^{-3} than previous ones, with important implications on hadron collider phenomenology, especially at the LHC. The uncertainties of the parton distributions are reassessed and are compared to the previous ones. A new set of CTEQ6.5 eigenvector PDFs that encapsulates these uncertainties is also presented.Comment: 32 pages, 12 figures; updated, Publication Versio

Magnetic anisotropy and spin-spiral wave in V, Cr and Mn atomic chains on Cu(001) surface: First principles calculations

Recent ab intio studies of the magnetic properties of all 3d transition metal(TM) freestanding atomic chains predicted that these nanowires could have a giant magnetic anisotropy energy (MAE) and might support a spin-spiral structure, thereby suggesting that these nanowires would have technological applicationsin, e.g., high density magnetic data storages. In order to investigate how the substrates may affect the magnetic properties of the nanowires, here we systematically study the V, Cr and Mn linear atomic chains on the Cu(001) surface based on the density functional theory with the generalized gradient approximation. We find that V, Cr, and Mn linear chains on the Cu(001) surface still have a stable or metastable ferromagnetic state. However, the ferromagnetic state is unstable against formation of a noncollinear spin-spiral structure in the Mn linear chains and also the V linear chain on the atop sites on the Cu(001) surface, due to the frustrated magnetic interactions in these systems. Nonetheless, the presence of the Cu(001) substrate does destabilize the spin-spiral state already present in the freestanding V linear chain and stabilizes the ferromagnetic state in the V linear chain on the hollow sites on Cu(001). When spin-orbit coupling (SOC) is included, the spin magnetic moments remain almost unchanged, due to the weakness of SOC in 3d TM chains. Furthermore, both the orbital magnetic moments and MAEs for the V, Cr and Mn are small, in comparison with both the corresponding freestanding nanowires and also the Fe, Co and Ni linear chains on the Cu (001) surface.Comment: Accepted for publication in J. Phys. D: Applied Physic

Optimal Topological Test for Degeneracies of Real Hamiltonians

We consider adiabatic transport of eigenstates of real Hamiltonians around loops in parameter space. It is demonstrated that loops that map to nontrivial loops in the space of eigenbases must encircle degeneracies. Examples from Jahn-Teller theory are presented to illustrate the test. We show furthermore that the proposed test is optimal.Comment: Minor corrections, accepted in Phys. Rev. Let

A second order slender wing theory for wings with leading edge separation in supersonic flow

Second order slender wing theory for calculating supersonic flow over low aspect ratio wings with subsonic leading edges and leading edge separatio

Resonant Subband Landau Level Coupling in Symmetric Quantum Well

Subband structure and depolarization shifts in an ultra-high mobility GaAs/Al_{0.24}Ga_{0.76}As quantum well are studied using magneto-infrared spectroscopy via resonant subband Landau level coupling. Resonant couplings between the 1st and up to the 4th subbands are identified by well-separated anti-level-crossing split resonance, while the hy-lying subbands were identified by the cyclotron resonance linewidth broadening in the literature. In addition, a forbidden intersubband transition (1st to 3rd) has been observed. With the precise determination of the subband structure, we find that the depolarization shift can be well described by the semiclassical slab plasma model, and the possible origins for the forbidden transition are discussed.Comment: 4 pages, 2 figure