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Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields

Genenko, Yuri A. and Hirsch, Ofer and Erhart, Paul (2014):
Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields.
In: Journal of Applied Physics, p. 104102, 115, (10), ISSN 0021-8979, [Online-Edition: http://dx.doi.org/10.1063/1.4867984],
[Article]

Abstract

Nonlinear screening of electric depolarization fields, generated by a stripe domain structure in a ferroelectric grain of a polycrystalline material, is studied within a semiconductor model of ferroelectrics. It is shown that the maximum strength of local depolarization fields is rather determined by the electronic band gap than by the spontaneous polarization magnitude. Furthermore, field screening due to electronic band bending and due to presence of intrinsic defects leads to asymmetric space charge regions near the grain boundary, which produce an effective dipole layer at the surface of the grain. This results in the formation of a potential difference between the grain surface and its interior of the order of 1 V, which can be of either sign depending on defect transition levels and concentrations. Exemplary acceptor doping of BaTiO3 is shown to allow tuning of the said surface potential in the region between 0.1 and 1.3 V.

Item Type: Article
Erschienen: 2014
Creators: Genenko, Yuri A. and Hirsch, Ofer and Erhart, Paul
Title: Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields
Language: English
Abstract:

Nonlinear screening of electric depolarization fields, generated by a stripe domain structure in a ferroelectric grain of a polycrystalline material, is studied within a semiconductor model of ferroelectrics. It is shown that the maximum strength of local depolarization fields is rather determined by the electronic band gap than by the spontaneous polarization magnitude. Furthermore, field screening due to electronic band bending and due to presence of intrinsic defects leads to asymmetric space charge regions near the grain boundary, which produce an effective dipole layer at the surface of the grain. This results in the formation of a potential difference between the grain surface and its interior of the order of 1 V, which can be of either sign depending on defect transition levels and concentrations. Exemplary acceptor doping of BaTiO3 is shown to allow tuning of the said surface potential in the region between 0.1 and 1.3 V.

Journal or Publication Title: Journal of Applied Physics
Volume: 115
Number: 10
Uncontrolled Keywords: Doping; Surface charge; Charge carriers; Polarization; Ferroelectric materials; Ferroelectric domain structure; Crystal defects; Electric fields; Electrostatics; Semiconductor device modeling
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > C - Modelling > Subproject C5: Phenomenological modelling of injection, transport and recombination in organic semiconducting devices as well as in inorganic ferroelectric materials
11 Department of Materials and Earth Sciences > Material Science
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue > C - Modelling
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres > CRC 595: Electrical fatigue
11 Department of Materials and Earth Sciences
Zentrale Einrichtungen
DFG-Collaborative Research Centres (incl. Transregio) > Collaborative Research Centres
DFG-Collaborative Research Centres (incl. Transregio)
Date Deposited: 12 Mar 2014 10:10
Official URL: http://dx.doi.org/10.1063/1.4867984
Additional Information:

SFB 595 C5

Identification Number: doi:10.1063/1.4867984
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