Hyperfine and magnetic properties of Fe–Cu clusters and Fe precipitates embedded in a Cu
matrix

doi:10.1088/0953-8984/21/50/506001

Hyperfine and magnetic properties of Fe–Cu clusters and Fe precipitates embedded in a Cu matrix

A B Klautau et al 2009 J. Phys.: Condens. Matter 21 506001 (12pp) doi: 10.1088/0953-8984/21/50/506001

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A B Klautau¹, L M Socolovsky², R N Nogueira^3,4 and H M Petrilli⁵
¹ Faculdade de Física, Universidade Federal do Pará, 66075-110, Belém, PA, Brazil
² Laboratorio de Sólidos Amorfos, INTECIN, Facultad de Ingeniería, Universidad de Buenos Aires, C1063ACV, Buenos Aires, Argentina
³ Faculdade Taboão da Serra, 06768-000, Taboão da Serra, SP, Brazil
⁴ Universidade Paulista, 06500-000, Santana de Parnaíba, Brazil
⁵ Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, SP, Brazil
E-mail: aklautau@ufpa.br

Abstract. Using the first-principles real-space linear muffin-tin orbital method within the atomic sphere approximation (RS-LMTO-ASA) we study hyperfine and local magnetic properties of substituted pure Fe and Fe–Cu clusters in an fcc Cu matrix. Spin and orbital contributions to magnetic moments, hyperfine fields and the Mössbauer isomer shifts at the Fe sites in Fe precipitates and Fe–Cu alloy clusters of sizes up to 60 Fe atoms embedded in the Cu matrix are calculated and the influence of the local environment on these properties is discussed.

Print publication: Issue 50 (16 December 2009)
Received 29 September 2009
Published 23 November 2009

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Hyperfine and magnetic properties of Fe–Cu clusters and Fe precipitates embedded in a Cu matrix

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