It has been debated for a decade whether the photovoltage in BiFeO$_3$
originates in a bulk photovoltaic effect, a ferroelectric domain-wall effect,
or a combination of both. In order to elucidate the role of ferroelectric
domain walls for the photovoltaic effect in BiFeO$_3$, we calculated the
photovoltage of a single ferroelectric domain wall stemming from
photo-generated electron-hole pairs residing at the ferroelectric domain wall,
using first-principles calculations based on density-functional theory. We find
that at the ferroelectric domain walls the electron-hole pairs form an electric
dipole layer resulting in a saw-tooth shaped electronic potential, hence
creating a domain-wall driven voltage upon illumination. This domain-wall
driven photovoltage in BiFeO$_3$ is smaller than the experimentally measured
photovoltage for light intensities up to several tens of mW/cm$^2$, indicating
that bulk effects, not domain-wall effects, dominate the photovoltaic effect in
BiFeO$_3$ in this intensity range.
Description
Photovoltage from ferroelectric domain walls in BiFeO$_3$
%0 Generic
%1 korbel2019photovoltage
%A Körbel, Sabine
%A Sanvito, Stefano
%D 2019
%K BiFeO3 domain_walls excitons ferroelectric_photovoltaics myown theory
%T Photovoltage from ferroelectric domain walls in BiFeO$_3$
%U http://arxiv.org/abs/1905.10321
%X It has been debated for a decade whether the photovoltage in BiFeO$_3$
originates in a bulk photovoltaic effect, a ferroelectric domain-wall effect,
or a combination of both. In order to elucidate the role of ferroelectric
domain walls for the photovoltaic effect in BiFeO$_3$, we calculated the
photovoltage of a single ferroelectric domain wall stemming from
photo-generated electron-hole pairs residing at the ferroelectric domain wall,
using first-principles calculations based on density-functional theory. We find
that at the ferroelectric domain walls the electron-hole pairs form an electric
dipole layer resulting in a saw-tooth shaped electronic potential, hence
creating a domain-wall driven voltage upon illumination. This domain-wall
driven photovoltage in BiFeO$_3$ is smaller than the experimentally measured
photovoltage for light intensities up to several tens of mW/cm$^2$, indicating
that bulk effects, not domain-wall effects, dominate the photovoltaic effect in
BiFeO$_3$ in this intensity range.
@misc{korbel2019photovoltage,
abstract = {It has been debated for a decade whether the photovoltage in BiFeO$_3$
originates in a bulk photovoltaic effect, a ferroelectric domain-wall effect,
or a combination of both. In order to elucidate the role of ferroelectric
domain walls for the photovoltaic effect in BiFeO$_3$, we calculated the
photovoltage of a single ferroelectric domain wall stemming from
photo-generated electron-hole pairs residing at the ferroelectric domain wall,
using first-principles calculations based on density-functional theory. We find
that at the ferroelectric domain walls the electron-hole pairs form an electric
dipole layer resulting in a saw-tooth shaped electronic potential, hence
creating a domain-wall driven voltage upon illumination. This domain-wall
driven photovoltage in BiFeO$_3$ is smaller than the experimentally measured
photovoltage for light intensities up to several tens of mW/cm$^2$, indicating
that bulk effects, not domain-wall effects, dominate the photovoltaic effect in
BiFeO$_3$ in this intensity range.},
added-at = {2019-05-27T11:35:55.000+0200},
author = {Körbel, Sabine and Sanvito, Stefano},
biburl = {https://www.bibsonomy.org/bibtex/21ba74658baf5ff6848df92a43eb090b1/skoerbel},
description = {Photovoltage from ferroelectric domain walls in BiFeO$_3$},
interhash = {21f9c9983c369216aa2fc63e515e671e},
intrahash = {1ba74658baf5ff6848df92a43eb090b1},
keywords = {BiFeO3 domain_walls excitons ferroelectric_photovoltaics myown theory},
note = {cite arxiv:1905.10321},
timestamp = {2019-05-27T11:35:55.000+0200},
title = {Photovoltage from ferroelectric domain walls in BiFeO$_3$},
url = {http://arxiv.org/abs/1905.10321},
year = 2019
}