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Chirality and Magnetocaloricity in GdFeTeO6 as Compared to GdGaTeO6.

Elena ZverevaTatyana M VasilchikovaMaria EvstigneevaAngelica TyurevaVladimir B NalbandyanJoão GonçalvesPaolo BaroneAlessandro StroppaAlexander N Vasiliev
Published in: Materials (Basel, Switzerland) (2021)
GdFeTeO6 and GdGaTeO6 have been prepared and their structures refined by the Rietveld method. Both are superstructures of the rosiaite type (space group P3¯1c). Their thermodynamic properties have been investigated by means of magnetization M and specific heat Cp measurements, evidencing the formation of the long-range antiferromagnetic order at TN = 2.4 K in the former compound and paramagnetic behavior down to 2 K in the latter compound. Large magnetocaloric effect allows considering GdFeTeO6 for the magnetic refrigeration at liquid hydrogen stage. Density functional theory calculations produce estimations of leading Gd-Gd, Gd-Fe and Fe-Fe interactions suggesting unique chiral 120° magnetic structure of Fe3+ (S = 5/2) moments and Gd3+ (J = 7/2) moments rotating in opposite directions (clockwise/anticlockwise) within weakly coupled layers of the rosiaite type crystal structure.
Keyphrases
  • density functional theory
  • crystal structure
  • molecular dynamics
  • aqueous solution
  • metal organic framework
  • visible light
  • ionic liquid
  • high resolution
  • molecular dynamics simulations
  • heat stress
  • monte carlo