The Magnetic Structure of Cu0.2Ni0.8 Alloys

1995 ◽  
Vol 408 ◽  
Author(s):  
Yang Wang ◽  
G. M. Stocks ◽  
D. M. C. Nicholson ◽  
W. A. Shelton ◽  
Z. Szotek ◽  
...  
Keyword(s):  
Cross Sections ◽  
Local Density ◽  
Local Environment ◽  
Large Cell ◽  
Scattering Method ◽  
Spin Polarized ◽  
Massively Parallel Processing ◽  
Intel Paragon ◽  
Multiple Scattering Method ◽  
Scattering Cross Sections

AbstractThe locally self-consistent multiple scattering method is applied to ab initio spin-polarized local density approximation calculations for ferromagnetic CuNi alloys. The samples used to model the alloys are constructed with experimentally measured short range order parameters. These large cell calculations are performed using the Intel Paragon XP/S massively parallel processing supercomputer. The neutron magnetic diffuse scattering cross sections are calculated and compared with experiment. The dependence of magnetic moment formation on the local environment is discussed.

LOCAL DENSITY CALCULATIONS FOR LARGE SYSTEMS USING MULTIPLE SCATTERING THEORY

1995 ◽  
Vol 02 (01) ◽  
pp. 71-79
Author(s):  
D.M.C. NICHOLSON ◽  
G.M. STOCKS ◽  
Y. WANG ◽  
W.A. SHELTON ◽  
Z. SZOTEK ◽  
...  
Keyword(s):  
Schrödinger Equation ◽  
Multiple Scattering ◽  
Scattering Theory ◽  
Schrodinger Equation ◽  
Local Density ◽  
Basis Set ◽  
Scattering Method ◽  
Multiple Scattering Theory ◽  
Large Systems ◽  
Multiple Scattering Method

The accuracy of energy differences calculated from first principles within the local density approximation (LDA) has been demonstrated for a large number of systems. Armed with these energy differences researchers are addressing questions of phase stability and structural relaxation. However, these techniques are very computationally intensive and are therefore not being used for the simulation of large complex systems. Many of the methods for solving the Kohn-Sham equations of the LDA rely on basis set methods for solution of the Schrodinger equation. An alternative approach is multiple scattering theory (MST). We feel that the locally exact solutions of the Schrodinger equation which are at the heart of the multiple scattering method give the method an efficiency which cannot be ignored in the search for methods with which to attack large systems. Furthermore, the analytic properties of the Green function which is determined directly in MST result in computational shortcuts.

Particle scattering by rotating trapped quantum gases at finite temperature

2021 ◽  
Author(s):  
Samir Das ◽  
Shyamal Biswas
Keyword(s):  
Cross Sections ◽  
Fermi Gas ◽  
Bose Gas ◽  
Einstein Condensate ◽  
Harmonic Trap ◽  
Quantum Gases ◽  
Scattering Method ◽  
Particle Scattering ◽  
Scattering Cross ◽  
Scattering Cross Sections

Abstract We have analytically explored the quantum phenomena of particle scattering by rotating trapped quantum gases of electrically neutral bosons and fermions for the short-ranged Fermi-Huang interactions between the incident particle and the scatterers. We have predicted differential scattering cross-sections and their temperature and angular velocity dependencies in this regard, in particular, for an ideal Bose gas in a rotating harmonic trap, an ideal Fermi gas in a rotating harmonic trap, and a weakly interacting Bose gas in a slow rotating harmonic trap. We have theoretically probed the lattice-pattern of the vortices in a rapidly rotating strongly interacting Bose-Einstein condensate by the particle scattering method. We also have obtained de Haas-van Alphen-like oscillations in the differential scattering cross-section for an ideal ultracold Fermi gas in a rotating harmonic trap. Our predictions on the differential scattering cross-sections can be tested within the present-day experimental setups.

O(N) Multiple Scattering Method for Relativistic and Spin Polarized Systems

1995 ◽  
Vol 408 ◽  
Author(s):  
S. V. Beiden ◽  
G. Y. Guo ◽  
W. M. Temmerman ◽  
Z. Szotek ◽  
G. A. Gehring ◽  
...  
Keyword(s):  
Multiple Scattering ◽  
Magnetic Moments ◽  
Real Space ◽  
Scattering Method ◽  
Preliminary Results ◽  
Crystalline Anisotropy ◽  
Spin Polarized ◽  
Multiple Scattering Method ◽  
Magneto Crystalline Anisotropy ◽  
Good Agreement

AbstractWe have implemented the fully relativistic and spin-polarized extension of the O(N) real space locally self-consistent multiple scattering formalism [1]. Here we present preliminary results for the spin and orbital magnetic moments and magneto-crystalline anisotropy in iron metal. The spin and orbital moments are in good agreement with the results of conventional electronic structure methods. In addition we present preliminary results for the magnetocrystalline anisotropy obtained in the frozen potential approximation.

CALCULATION OF SPIN-POLARIZED ARUPS SPECTRA FOR FERROMAGNETIC TRANSITION METAL SURFACES

1993 ◽  
Vol 07 (01n03) ◽  
pp. 538-541
Author(s):  
TSUYOSHI AISAKA ◽  
AKIRA ISHII ◽  
KUNIKO YAMADA
Keyword(s):  
Transition Metal ◽  
Multiple Scattering ◽  
Metal Surfaces ◽  
Surface Relaxation ◽  
Scattering Method ◽  
Ferromagnetic Transition ◽  
Spin Polarized ◽  
Transition Metal Surfaces ◽  
Multiple Scattering Method ◽  
Theory And Experiment

Calculation of spin-polarized ARUPS spectra for ferromagnetic transition metal surfaces are presented by using non-relativistic multiple-scattering method with time-reversed LEED states. The effects of surface relaxation are investigated and found to be significant for discussing the quantitative discrepancy of the spin-resolved band between theory and experiment at X2 for Ni(110) surface.

AHARONOV–BOHM EFFECT WITH SPIN-POLARIZED ELECTRONS

2006 ◽  
Vol 21 (21) ◽  
pp. 1647-1656 ◽  
Author(s):  
V. R. KHALILOV
Keyword(s):  
Cross Sections ◽  
Delta Function ◽  
Bound State ◽  
Polarized Electrons ◽  
Scattering States ◽  
Spin Polarized ◽  
Bohm Effect ◽  
Scattering Cross Sections ◽  
Aharonov Bohm ◽  
Bound Electron

The scattering of spin-polarized electrons in an Aharonov–Bohm vector potential is considered. The scattering cross-sections for spin-unpolarized and spin-polarized electron beams differ. It is shown that a bound electron state may occur if the interaction of electron spin with magnetic field having the form of two-dimensional delta function is included. The occurrence of bound state can modify the scattering states but the total cross-section does not change.

Absolute inner-shell cross section determination for EELS analysis

1988 ◽  
Vol 46 ◽  
pp. 534-535
Author(s):  
P.A. Crozier
Keyword(s):  
Cross Section ◽  
Cross Sections ◽  
Absolute Cross Section ◽  
Specimen Thickness ◽  
Mass Thickness ◽  
Scattering Cross ◽  
Before And After ◽  
Estimated Error ◽  
Scattering Cross Sections ◽  
Electron Microscopist

Absolute inelastic scattering cross sections or mean free paths are often used in EELS analysis for determining elemental concentrations and specimen thickness. In most instances, theoretical values must be used because there have been few attempts to determine experimental scattering cross sections from solids under the conditions of interest to electron microscopist. In addition to providing data for spectral quantitation, absolute cross section measurements yields useful information on many of the approximations which are frequently involved in EELS analysis procedures. In this paper, experimental cross sections are presented for some inner-shell edges of Al, Cu, Ag and Au.Uniform thin films of the previously mentioned materials were prepared by vacuum evaporation onto microscope cover slips. The cover slips were weighed before and after evaporation to determine the mass thickness of the films. The estimated error in this method of determining mass thickness was ±7 x 107g/cm2. The films were floated off in water and mounted on Cu grids.

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