Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Kinetic Monte Carlo simulations of organic ferroelectrics
Linkoping Univ, Dept Phys Chem & Biol IFM, S-58183 Linkoping, Sweden..
KTH, Skolan för kemi, bioteknologi och hälsa (CBH), Teoretisk kemi och biologi.
Linkoping Univ, Dept Phys Chem & Biol IFM, S-58183 Linkoping, Sweden..ORCID-id: 0000-0002-4199-3040
KTH, Skolan för kemi, bioteknologi och hälsa (CBH), Teoretisk kemi och biologi.ORCID-id: 0000-0002-1191-4954
Visa övriga samt affilieringar
2019 (Engelska)Ingår i: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, nr 3, s. 1375-1383Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

Ferroelectrics find broad applications, e.g. in non-volatile memories, but the switching kinetics in real, disordered, materials is still incompletely understood. Here, we develop an electrostatic model to study ferroelectric switching using 3D Monte Carlo simulations. We apply this model to the prototypical small molecular ferroelectric trialkylbenzene-1,3,5-tricarboxamide (BTA) and find good agreement between the Monte Carlo simulations, experiments, and molecular dynamics studies. Since the model lacks any explicit steric effects, we conclude that these are of minor importance. While the material is shown to have a frustrated antiferroelectric ground state, it behaves as a normal ferroelectric under practical conditions due to the large energy barrier for switching that prevents the material from reaching its ground state after poling. We find that field-driven polarization reversal and spontaneous depolarization have orders of magnitude different switching kinetics. For the former, which determines the coercive field and is relevant for data writing, nucleation occurs at the electrodes, whereas for the latter, which governs data retention, nucleation occurs at disorder-induced defects. As a result, by reducing the disorder in the system, the polarization retention time can be increased dramatically while the coercive field remains unchanged.

Ort, förlag, år, upplaga, sidor
ROYAL SOC CHEMISTRY , 2019. Vol. 21, nr 3, s. 1375-1383
Nationell ämneskategori
Teoretisk kemi
Identifikatorer
URN: urn:nbn:se:kth:diva-243951DOI: 10.1039/c8cp06716cISI: 000456147000040PubMedID: 30601493Scopus ID: 2-s2.0-85060120855OAI: oai:DiVA.org:kth-243951DiVA, id: diva2:1293236
Anmärkning

QC 20190304

Tillgänglig från: 2019-03-04 Skapad: 2019-03-04 Senast uppdaterad: 2019-03-12Bibliografiskt granskad

Open Access i DiVA

Fulltext saknas i DiVA

Övriga länkar

Förlagets fulltextPubMedScopus

Sök vidare i DiVA

Av författaren/redaktören
Biler, MichalUrbanaviciute, IndreNorman, PatrickLinares, MathieuKemerink, Martijn
Av organisationen
Teoretisk kemi och biologiSkolan för kemi, bioteknologi och hälsa (CBH)
I samma tidskrift
Physical Chemistry, Chemical Physics - PCCP
Teoretisk kemi

Sök vidare utanför DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetricpoäng

doi
pubmed
urn-nbn
Totalt: 90 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf