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Slippery Paraelectric Transition-Metal Dichalcogenide Bilayers.

Juan M Marmolejo-TejadaJoseph E RollShiva Prasad PoudelSalvador Barraza-LopezMartín A Mosquera
Published in: Nano letters (2022)
Traditional ferroelectrics undergo thermally induced phase transitions whereby their structural symmetry increases. The associated higher-symmetry structure is dubbed <i>paraelectric</i>. Ferroelectric transition-metal dichalcogenide bilayers have been recently shown to become paraelectric, but not much has been said of the atomistic configuration of such a phase. As discovered through numerical calculations that include molecular dynamics here, their paraelectricity can only be ascribed to a time average of ferroelectric phases with opposing intrinsic polarizations, whose switching requires macroscopically large areas to slip in unison.
Keyphrases
  • transition metal
  • molecular dynamics
  • molecular dynamics simulations
  • density functional theory
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