Exchange interaction between magnetic impurities on surfaces of Cu xPd1-x and CuxAu1-x random substitutional alloys

B. Újfalussy, E. Simon

Research output: Contribution to journalArticle

Abstract

We present fully relativistic first principles calculations of the exchange interactions between magnetic impurities deposited on the (1 1 1) surfaces of CuxPd1-x and CuxAu1-x random substitutional alloys, described using the coherent potential approximation. We show that as with pure surfaces of Cu and Au, where Shockley-type surface states mediate an RKKY-type interaction, a surface state and its dispersion can be obtained from studying the Blochspectral function. In the second part of the paper we show how the details of the interaction are determined by the properties and dispersion of the surface states of the host material. We find an extra exponential decay in the range of the interactions compared to the 1/R2 decay on surfaces of pure metals. The similar topology of the Fermi surface of Cu and Au allows us to scale the spin-orbit coupling and to study the Bychkov-Rashba splitting. Alternatively, the entirely different topology of the Cu and Pd Fermi surfaces allows us to study changes in the surface-state dispersion of the RKKY interaction between surface impurities.

Original languageEnglish
Article number274211
JournalJournal of Physics Condensed Matter
Volume26
Issue number27
DOIs
Publication statusPublished - Jul 9 2014

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Surface Properties
Exchange interactions
Surface states
Orbit
Metals
Impurities
impurities
Fermi surface
Topology
interactions
Fermi surfaces
Orbits
topology
decay
orbits
approximation
metals

Keywords

  • impurity interaction
  • random alloy
  • RKKY
  • surface

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Medicine(all)

Cite this

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title = "Exchange interaction between magnetic impurities on surfaces of Cu xPd1-x and CuxAu1-x random substitutional alloys",
abstract = "We present fully relativistic first principles calculations of the exchange interactions between magnetic impurities deposited on the (1 1 1) surfaces of CuxPd1-x and CuxAu1-x random substitutional alloys, described using the coherent potential approximation. We show that as with pure surfaces of Cu and Au, where Shockley-type surface states mediate an RKKY-type interaction, a surface state and its dispersion can be obtained from studying the Blochspectral function. In the second part of the paper we show how the details of the interaction are determined by the properties and dispersion of the surface states of the host material. We find an extra exponential decay in the range of the interactions compared to the 1/R2 decay on surfaces of pure metals. The similar topology of the Fermi surface of Cu and Au allows us to scale the spin-orbit coupling and to study the Bychkov-Rashba splitting. Alternatively, the entirely different topology of the Cu and Pd Fermi surfaces allows us to study changes in the surface-state dispersion of the RKKY interaction between surface impurities.",
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AU - Újfalussy, B.

AU - Simon, E.

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N2 - We present fully relativistic first principles calculations of the exchange interactions between magnetic impurities deposited on the (1 1 1) surfaces of CuxPd1-x and CuxAu1-x random substitutional alloys, described using the coherent potential approximation. We show that as with pure surfaces of Cu and Au, where Shockley-type surface states mediate an RKKY-type interaction, a surface state and its dispersion can be obtained from studying the Blochspectral function. In the second part of the paper we show how the details of the interaction are determined by the properties and dispersion of the surface states of the host material. We find an extra exponential decay in the range of the interactions compared to the 1/R2 decay on surfaces of pure metals. The similar topology of the Fermi surface of Cu and Au allows us to scale the spin-orbit coupling and to study the Bychkov-Rashba splitting. Alternatively, the entirely different topology of the Cu and Pd Fermi surfaces allows us to study changes in the surface-state dispersion of the RKKY interaction between surface impurities.

AB - We present fully relativistic first principles calculations of the exchange interactions between magnetic impurities deposited on the (1 1 1) surfaces of CuxPd1-x and CuxAu1-x random substitutional alloys, described using the coherent potential approximation. We show that as with pure surfaces of Cu and Au, where Shockley-type surface states mediate an RKKY-type interaction, a surface state and its dispersion can be obtained from studying the Blochspectral function. In the second part of the paper we show how the details of the interaction are determined by the properties and dispersion of the surface states of the host material. We find an extra exponential decay in the range of the interactions compared to the 1/R2 decay on surfaces of pure metals. The similar topology of the Fermi surface of Cu and Au allows us to scale the spin-orbit coupling and to study the Bychkov-Rashba splitting. Alternatively, the entirely different topology of the Cu and Pd Fermi surfaces allows us to study changes in the surface-state dispersion of the RKKY interaction between surface impurities.

KW - impurity interaction

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