Dielectric response of Fe2O3 crystals and thin films

Ruth Lunt, Adam J. Jackson, Aron Walsh

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

We report the static (ε0) and high frequency (ε∞) dielectric constants of haematite (α-Fe2O3) as calculated using density functional perturbation theory. The values for bulk iron oxide are ε0 11 = 26.41; ε0 33 = 17.84; ε∞ 11 = 7.87 and ε∞ 33 = 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
Early online date14 Sep 2013
DOIs
Publication statusPublished - 24 Oct 2013

Fingerprint

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

Cite this

Dielectric response of Fe2O3 crystals and thin films. / Lunt, Ruth; Jackson, Adam J.; Walsh, Aron.

In: Chemical Physics Letters, Vol. 586, 24.10.2013, p. 67-69.

Research output: Contribution to journalArticle

Lunt, Ruth ; Jackson, Adam J. ; Walsh, Aron. / Dielectric response of Fe2O3 crystals and thin films. In: Chemical Physics Letters. 2013 ; Vol. 586. pp. 67-69.
@article{3e12d7cdd73f4d069f94e53e2475fefe,
title = "Dielectric response of Fe2O3 crystals and thin films",
abstract = "We report the static (ε0) and high frequency (ε∞) dielectric constants of haematite (α-Fe2O3) as calculated using density functional perturbation theory. The values for bulk iron oxide are ε0 11 = 26.41; ε0 33 = 17.84; ε∞ 11 = 7.87 and ε∞ 33 = 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.",
author = "Ruth Lunt and Jackson, {Adam J.} and Aron Walsh",
year = "2013",
month = "10",
day = "24",
doi = "10.1016/j.cplett.2013.09.023",
language = "English",
volume = "586",
pages = "67--69",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",

}

TY - JOUR

T1 - Dielectric response of Fe2O3 crystals and thin films

AU - Lunt, Ruth

AU - Jackson, Adam J.

AU - Walsh, Aron

PY - 2013/10/24

Y1 - 2013/10/24

N2 - We report the static (ε0) and high frequency (ε∞) dielectric constants of haematite (α-Fe2O3) as calculated using density functional perturbation theory. The values for bulk iron oxide are ε0 11 = 26.41; ε0 33 = 17.84; ε∞ 11 = 7.87 and ε∞ 33 = 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.

AB - We report the static (ε0) and high frequency (ε∞) dielectric constants of haematite (α-Fe2O3) as calculated using density functional perturbation theory. The values for bulk iron oxide are ε0 11 = 26.41; ε0 33 = 17.84; ε∞ 11 = 7.87 and ε∞ 33 = 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.

UR - http://www.scopus.com/inward/record.url?scp=84885653414&partnerID=8YFLogxK

UR - http://dx.doi.org/10.1016/j.cplett.2013.09.023

U2 - 10.1016/j.cplett.2013.09.023

DO - 10.1016/j.cplett.2013.09.023

M3 - Article

VL - 586

SP - 67

EP - 69

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -