Ab initio theory of temperature dependence of magnetic anisotropy in layered systems: Applications to thin Co films on Cu(100)

Á Buruzs, P. Weinberger, L. Szunyogh, L. Udvardi, P. I. Chleboun, A. M. Fischer, J. B. Staunton

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

In this paper we present an extension of the relativistic disordered local moments (RDLM) scheme to layered systems in order to perform ab initio calculations of the temperature-dependent magnetic anisotropy energy of magnetic surfaces, interfaces, or films. As implemented within the relativistic spin-polarized screened Korringa-Kohn-Rostoker method, we apply this scheme to thin Con /Cu (100) films and observe a temperature dependence of the magnetic anisotropy energy (MAE) that significantly differs from that of the bulk systems studied so far. In addition to the overall agreement of our results with experiments in showing an in-plane magnetization for almost all layer thicknesses and temperatures under consideration, our calculations also systematically predict a temperature-induced reverse (in-plane to out-of-plane) spin reorientation. In order to explain this unexpected feature we fit the parameters of a classical Heisenberg model solved within the mean-field approach to the MAE obtained from the RDLM calculations, and conclude that the spin reorientation is driven by a competition of exchange and single-site anisotropies.

Original languageEnglish
Article number064417
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume76
Issue number6
DOIs
Publication statusPublished - Aug 14 2007

Fingerprint

Magnetic anisotropy
temperature dependence
anisotropy
retraining
moments
Temperature
temperature
energy
Magnetization
Anisotropy
magnetization
Experiments

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Ab initio theory of temperature dependence of magnetic anisotropy in layered systems : Applications to thin Co films on Cu(100). / Buruzs, Á; Weinberger, P.; Szunyogh, L.; Udvardi, L.; Chleboun, P. I.; Fischer, A. M.; Staunton, J. B.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 76, No. 6, 064417, 14.08.2007.

Research output: Contribution to journalArticle

@article{64048af30d604ff4ae9aa190b6a6fa58,
title = "Ab initio theory of temperature dependence of magnetic anisotropy in layered systems: Applications to thin Co films on Cu(100)",
abstract = "In this paper we present an extension of the relativistic disordered local moments (RDLM) scheme to layered systems in order to perform ab initio calculations of the temperature-dependent magnetic anisotropy energy of magnetic surfaces, interfaces, or films. As implemented within the relativistic spin-polarized screened Korringa-Kohn-Rostoker method, we apply this scheme to thin Con /Cu (100) films and observe a temperature dependence of the magnetic anisotropy energy (MAE) that significantly differs from that of the bulk systems studied so far. In addition to the overall agreement of our results with experiments in showing an in-plane magnetization for almost all layer thicknesses and temperatures under consideration, our calculations also systematically predict a temperature-induced reverse (in-plane to out-of-plane) spin reorientation. In order to explain this unexpected feature we fit the parameters of a classical Heisenberg model solved within the mean-field approach to the MAE obtained from the RDLM calculations, and conclude that the spin reorientation is driven by a competition of exchange and single-site anisotropies.",
author = "{\'A} Buruzs and P. Weinberger and L. Szunyogh and L. Udvardi and Chleboun, {P. I.} and Fischer, {A. M.} and Staunton, {J. B.}",
year = "2007",
month = "8",
day = "14",
doi = "10.1103/PhysRevB.76.064417",
language = "English",
volume = "76",
journal = "Physical Review B-Condensed Matter",
issn = "0163-1829",
publisher = "American Physical Society",
number = "6",

}

TY - JOUR

T1 - Ab initio theory of temperature dependence of magnetic anisotropy in layered systems

T2 - Applications to thin Co films on Cu(100)

AU - Buruzs, Á

AU - Weinberger, P.

AU - Szunyogh, L.

AU - Udvardi, L.

AU - Chleboun, P. I.

AU - Fischer, A. M.

AU - Staunton, J. B.

PY - 2007/8/14

Y1 - 2007/8/14

N2 - In this paper we present an extension of the relativistic disordered local moments (RDLM) scheme to layered systems in order to perform ab initio calculations of the temperature-dependent magnetic anisotropy energy of magnetic surfaces, interfaces, or films. As implemented within the relativistic spin-polarized screened Korringa-Kohn-Rostoker method, we apply this scheme to thin Con /Cu (100) films and observe a temperature dependence of the magnetic anisotropy energy (MAE) that significantly differs from that of the bulk systems studied so far. In addition to the overall agreement of our results with experiments in showing an in-plane magnetization for almost all layer thicknesses and temperatures under consideration, our calculations also systematically predict a temperature-induced reverse (in-plane to out-of-plane) spin reorientation. In order to explain this unexpected feature we fit the parameters of a classical Heisenberg model solved within the mean-field approach to the MAE obtained from the RDLM calculations, and conclude that the spin reorientation is driven by a competition of exchange and single-site anisotropies.

AB - In this paper we present an extension of the relativistic disordered local moments (RDLM) scheme to layered systems in order to perform ab initio calculations of the temperature-dependent magnetic anisotropy energy of magnetic surfaces, interfaces, or films. As implemented within the relativistic spin-polarized screened Korringa-Kohn-Rostoker method, we apply this scheme to thin Con /Cu (100) films and observe a temperature dependence of the magnetic anisotropy energy (MAE) that significantly differs from that of the bulk systems studied so far. In addition to the overall agreement of our results with experiments in showing an in-plane magnetization for almost all layer thicknesses and temperatures under consideration, our calculations also systematically predict a temperature-induced reverse (in-plane to out-of-plane) spin reorientation. In order to explain this unexpected feature we fit the parameters of a classical Heisenberg model solved within the mean-field approach to the MAE obtained from the RDLM calculations, and conclude that the spin reorientation is driven by a competition of exchange and single-site anisotropies.

UR - http://www.scopus.com/inward/record.url?scp=34548047913&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34548047913&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.76.064417

DO - 10.1103/PhysRevB.76.064417

M3 - Article

AN - SCOPUS:34548047913

VL - 76

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 0163-1829

IS - 6

M1 - 064417

ER -