Langevin spin dynamics based on ab initio calculations

Numerical schemes and applications

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

A method is proposed to study the finite-temperature behaviour of small magnetic clusters based on solving the stochastic Landau-Lifshitz-Gilbert equations, where the effective magnetic field is calculated directly during the solution of the dynamical equations from first principles instead of relying on an effective spin Hamiltonian. Different numerical solvers are discussed in the case of a one-dimensional Heisenberg chain with nearest-neighbour interactions. We performed detailed investigations for a monatomic chain of ten Co atoms on top of a Au(0 0 1) surface. We found a spiral-like ground state of the spins due to Dzyaloshinsky-Moriya interactions, while the finite-temperature magnetic behaviour of the system was well described by a nearest-neighbour Heisenberg model including easy-axis anisotropy.

Original languageEnglish
Article number216003
JournalJournal of Physics Condensed Matter
Volume26
Issue number21
DOIs
Publication statusPublished - May 28 2014

Fingerprint

Spin dynamics
spin dynamics
Hamiltonians
Temperature
Anisotropy
Magnetic Fields
Ground state
interactions
Magnetic fields
Atoms
anisotropy
ground state
temperature
magnetic fields
atoms

Keywords

  • ab initio spin dynamics
  • Landau-Lifshitz-Gilbert equation
  • magnetic nanoclusters

ASJC Scopus subject areas

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

Cite this

Langevin spin dynamics based on ab initio calculations : Numerical schemes and applications. / Rózsa, L.; Udvardi, L.; Szunyogh, L.

In: Journal of Physics Condensed Matter, Vol. 26, No. 21, 216003, 28.05.2014.

Research output: Contribution to journalArticle

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