Ab initio study of canted magnetism of finite atomic chains at surfaces

B. Lazarovits, B. Újfalussy, L. Szunyogh, G. M. Stocks, P. Weinberger

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first-principles point of view, this simple model can be best related to the so-called magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach that we use to search for the canted magnetic ground state is the first-principles adiabatic spin dynamics technique extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms on a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven-atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned, we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly non-collinear.

Original languageEnglish
JournalJournal of Physics Condensed Matter
Volume16
Issue number48
DOIs
Publication statusPublished - Dec 8 2004

Fingerprint

Magnetism
Ground state
ground state
wire
Wire
Magnetization
Spin dynamics
Atoms
magnetization
anisotropy
Electron scattering
Magnetic anisotropy
symmetry
spin dynamics
Crystal orientation
Dimers
atoms
electron scattering
Anisotropy
theorems

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Ab initio study of canted magnetism of finite atomic chains at surfaces. / Lazarovits, B.; Újfalussy, B.; Szunyogh, L.; Stocks, G. M.; Weinberger, P.

In: Journal of Physics Condensed Matter, Vol. 16, No. 48, 08.12.2004.

Research output: Contribution to journalArticle

@article{1f7993111d0c4d3fb90e652533645758,
title = "Ab initio study of canted magnetism of finite atomic chains at surfaces",
abstract = "By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first-principles point of view, this simple model can be best related to the so-called magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach that we use to search for the canted magnetic ground state is the first-principles adiabatic spin dynamics technique extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms on a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven-atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned, we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly non-collinear.",
author = "B. Lazarovits and B. {\'U}jfalussy and L. Szunyogh and Stocks, {G. M.} and P. Weinberger",
year = "2004",
month = "12",
day = "8",
doi = "10.1088/0953-8984/16/48/058",
language = "English",
volume = "16",
journal = "Journal of Physics Condensed Matter",
issn = "0953-8984",
publisher = "IOP Publishing Ltd.",
number = "48",

}

TY - JOUR

T1 - Ab initio study of canted magnetism of finite atomic chains at surfaces

AU - Lazarovits, B.

AU - Újfalussy, B.

AU - Szunyogh, L.

AU - Stocks, G. M.

AU - Weinberger, P.

PY - 2004/12/8

Y1 - 2004/12/8

N2 - By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first-principles point of view, this simple model can be best related to the so-called magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach that we use to search for the canted magnetic ground state is the first-principles adiabatic spin dynamics technique extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms on a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven-atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned, we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly non-collinear.

AB - By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first-principles point of view, this simple model can be best related to the so-called magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach that we use to search for the canted magnetic ground state is the first-principles adiabatic spin dynamics technique extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms on a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven-atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned, we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly non-collinear.

UR - http://www.scopus.com/inward/record.url?scp=10444235741&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=10444235741&partnerID=8YFLogxK

U2 - 10.1088/0953-8984/16/48/058

DO - 10.1088/0953-8984/16/48/058

M3 - Article

VL - 16

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

SN - 0953-8984

IS - 48

ER -