• Title of article

    Magnetic properties of ternary Prussian Blue Analogs studied with genetic approach

  • Author/Authors

    Tomasz M. Gwizdalla، نويسنده , , Tomasz M.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    7
  • From page
    2644
  • To page
    2650
  • Abstract
    There are some similarities between the formulation of numerous magnetic problems and the description of Genetic Algorithm (GA) representations and operators. In the paper we use GA to determine the ground-states of Prussian Blue Analog ABpC1−p. The structure of this molecular magnet is formed by two interpenetrating sublattices: the first one consists of atoms A and vacancies, the second one consists of B and C atoms where p factor describes the stoichiometry. The interaction model includes nearest neighbor interactions and the single-ion anisotropy. Such a sample has already been the subject of study [1] with some approximated model. Using our approach we obtained in some regions of phase diagram configurations which are energetically better than known before. The thermodynamical analysis was performed using the specific algorithm of microcanonical Monte Carlo simulation, namely Creutz demon technique. It shows only small changes in the shape of the ferri-paramagnetic phase transition curve.
  • Keywords
    Magnetic alloys , global optimization , Monte Carlo simulation
  • Journal title
    Computational Materials Science
  • Serial Year
    2011
  • Journal title
    Computational Materials Science
  • Record number

    1689077