Enhanced magnetism in amorphous Co-Y alloys: An ab initio approach

D. Spišák, Ch. Becker, and J. Hafner
Phys. Rev. B 51, 11616 – Published 1 May 1995
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Abstract

The magnetic properties of Co-Y crystalline intermetallic compounds and amorphous alloys have been investigated using molecular-dynamics simulations of the amorphous structure (based on effective tight-binding-bond forces) and self-consistent spin-polarized electronic-structure calculations (using the supercell approximation for the amorphous phases). We find that the amorphous structure is characterized by a rather strong chemical short-range order (stronger than in amorphous Fe-Y, but weaker than in Ni-Y allows). As a consequence, the total electronic density of states (DOS) is also similar in the crystalline and amorphous phases, apart from a smearing of the fine-structure characteristic for the long-range order in the intermetallic compounds. All crystalline CoxY100x alloys with x≥75 and all amorphous alloys with x≥45 are ferrimagnetic. The Laves phase Co2Y shows metamagnetism. The disorder-induced smearing of the electronic DOS eliminates the metamagnetic instability and is responsible for the increase of the paramagnetic DOS at the Fermi level and for the enhancement of magnetism. We find that the ferrimagnetic coupling, together with the strong tendency to heterocoordination is important for the persistence of magnetic ordering in the Y-rich regime.

  • Received 26 August 1994

DOI:https://doi.org/10.1103/PhysRevB.51.11616

©1995 American Physical Society

Authors & Affiliations

D. Spišák

  • Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria
  • Department of Experimental Physics, Šafárik University, Park Angelinum 9, SK 04154 Košice, Slovakia

Ch. Becker and J. Hafner

  • Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria

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Vol. 51, Iss. 17 — 1 May 1995

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