Dielectric response of Fe2O3 crystals and thin films

Ruth A. Lunt, Adam J. Jackson, Aron Walsh

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

We report the static (ε0) and high frequency (ε) dielectric constants of haematite (α -Fe 2O3) as calculated using density functional perturbation theory. The values for bulk iron oxide are ε011 = 26.41; ε033 = 17.84; ε 11 = 7.87 and ε33 = 7.57. The effective static dielectric screening of porous thin-films is predicted in aqueous solutions, using effective medium theory, to range between 33 and 44 depending on the crystal packing density. The large spread in literature values (12-120) can only be explained through surface and micro-structuring effects. These results will be important for interpreting and modelling the materials behaviour, particularly in electrochemical and photoelectrochemical cells.

Original languageEnglish
Pages (from-to)67-69
Number of pages3
JournalChemical Physics Letters
Volume586
DOIs
Publication statusPublished - 2013 Jan 1

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Photoelectrochemical cells
Thin films
Crystals
Electrochemical cells
electrochemical cells
packing density
hematite
thin films
iron oxides
crystals
Screening
Permittivity
screening
perturbation theory
permittivity
aqueous solutions
cells
ferric oxide

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Lunt, Ruth A. ; Jackson, Adam J. ; Walsh, Aron. / Dielectric response of Fe2O3 crystals and thin films. In: Chemical Physics Letters. 2013 ; Vol. 586. pp. 67-69.
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Dielectric response of Fe2O3 crystals and thin films. / Lunt, Ruth A.; Jackson, Adam J.; Walsh, Aron.

In: Chemical Physics Letters, Vol. 586, 01.01.2013, p. 67-69.

Research output: Contribution to journalArticle

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