Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces

Shusuke Kasamatsu; Tomofumi Tada; Satoshi Watanabe

doi:10.1016/j.ssi.2010.11.022

Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces

Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

Abstract

We examine the space charge layer formation at metal/ionic conductor interfaces by solving Poisson's equation using defect energetics calculated from first principles. The scheme is applied to zirconia, and we find that oxidizing atmosphere and high valence band offset result in negative space charge accumulation at the interface, while reducing atmosphere and low valence band offset result in positive charge accumulation. This is explained in terms of the alignment of the Fermi levels in the metal and the ionic conductor.

Original language	English
Pages (from-to)	20-25
Number of pages	6
Journal	Solid State Ionics
Volume	183
Issue number	1
DOIs	https://doi.org/10.1016/j.ssi.2010.11.022
Publication status	Published - Feb 11 2011
Externally published	Yes

All Science Journal Classification (ASJC) codes

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.1016/j.ssi.2010.11.022

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abstract = "We examine the space charge layer formation at metal/ionic conductor interfaces by solving Poisson's equation using defect energetics calculated from first principles. The scheme is applied to zirconia, and we find that oxidizing atmosphere and high valence band offset result in negative space charge accumulation at the interface, while reducing atmosphere and low valence band offset result in positive charge accumulation. This is explained in terms of the alignment of the Fermi levels in the metal and the ionic conductor.",

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AB - We examine the space charge layer formation at metal/ionic conductor interfaces by solving Poisson's equation using defect energetics calculated from first principles. The scheme is applied to zirconia, and we find that oxidizing atmosphere and high valence band offset result in negative space charge accumulation at the interface, while reducing atmosphere and low valence band offset result in positive charge accumulation. This is explained in terms of the alignment of the Fermi levels in the metal and the ionic conductor.

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