Magnetism of Al-Mn quasicrystals

Journal Article · Thu Jul 01 00:00:00 EDT 1993 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.48.1295· OSTI ID:6395567

Liu, F; Khanna, S N; Magaud, L; Jena, P ^[1]; de Coulon, V; Reuse, F ^[2]; Jaswal, S S; He, X ^[3]; Cyrot-Lackman, F ^[4]

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1. Physics Department, Virginia Commonwealth University, Richmond, Virginia 23284-2000 (United States)
2. Institut de Physique Experimentale, Ecole Polytechnique Federale de Lausanne, PHB-Ecublens, Lausanne (Switzerland)
3. Department of Physics and Astronomy, The University of Nebraska-Lincoln, 260 Behlen Laboratory, Lincoln, Nebraska 68588-0111 (United States)
4. Laboratoire d'Etudes des Proprietes Electroniques des Solides, Centre National de la Recherche Scientifique, Boite Postale 166X, 38042 Grenoble, CEDEX France ( )

The effect of symmetry and concentration of Mn on the magnetism of Al-Mn quasicrystals has been investigated through self-consistent density-functional calculations using molecular clusters and supercell band-structure schemes. A single Mn atom surrounded by 54 Al atoms in an icosahedral or a cuboctahedral structure is found to be nonmagnetic. However, as the Mn concentration is increased, moments develop on Mn sites whose magnitude and coupling depend on their location.

• DOE Contract Number: FG05-87ER45316
• OSTI ID: 6395567
• Journal Information: Physical Review, B: Condensed Matter; (United States), Vol. 48:2; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALUMINIUM ALLOYS
MAGNETIC PROPERTIES
MANGANESE ALLOYS
BINARY ALLOY SYSTEMS
ELECTRONIC STRUCTURE
MOLECULAR CLUSTERS
SELF-CONSISTENT FIELD
ALLOY SYSTEMS
ALLOYS
PHYSICAL PROPERTIES
360104* - Metals & Alloys- Physical Properties