Real-space multiple scattering theory calculations of LEED (low-energy electron diffraction) intensities for stepped surfaces

Conference · Wed Jul 25 00:00:00 EDT 1990

OSTI ID:6582856

Zhang, X -G; Rous, P J; Van Hove, M A ^[1]; MacLaren, J M ^[2]; Gonis, A ^[3]; Somorjai, G A ^[4]

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1. Lawrence Berkeley Lab., CA (USA)
2. Los Alamos National Lab., NM (USA)
3. Lawrence Livermore National Lab., CA (USA)
4. Lawrence Berkeley Lab., CA (USA) California Univ., Berkeley, CA (USA). Dept. of Chemistry

We use a newly developed real-space multiple scattering theory (RS-MST) to calculate low-energy electron diffraction (LEED) intensities from stepped surfaces. In this calculation the electron wavefunctions are expanded in terms of an angular momentum basis, utilizing the property of removal invariance of systems with semi-infinite periodicity. This strongly reduces the dependence of the calculation on the interlayer spacing and thus opens up the possibility of treating more open surfaces. This includes in particular stepped surfaces, to which conventional methods cannot be applied. Applications of the formalism to various stepped surfaces are presented. In particular, the results for Cu(311) and (331) surfaces obtained from both the layer doubling and RS-MST methods are compared. In addition, numerical techniques which can improve the convergence as well as the speed of the RS-MST approach are discussed. 6 refs., 3 figs.

• Research Organization: Lawrence Livermore National Lab., CA (USA)
• Sponsoring Organization: DOE/DP
• DOE Contract Number: W-7405-ENG-48; AC03-76SF00098
• OSTI ID: 6582856
• Report Number(s): UCRL-JC-104938; CONF-9007131-3; ON: DE91000810
• Resource Relation: Conference: 3. international conference on the structure of surfaces, Milwaukee, WI (USA), 9-12 Jul 1990
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COPPER
SCATTERING
ELECTRONS
DIFFRACTION
RELAXATION
SURFACES
COHERENT SCATTERING
ELEMENTARY PARTICLES
ELEMENTS
FERMIONS
LEPTONS
METALS
TRANSITION ELEMENTS
656003* - Condensed Matter Physics- Interactions between Beams & Condensed Matter- (1987-)
656002 - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)