Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session G70: Poster Session I (2:00pm-5:00pm)
2:00 PM,
Tuesday, March 5, 2019
BCEC
Room: Exhibit Hall
Abstract: G70.00304 : Are Small Polarons Always Detrimental to Transparent Conducting Oxides ?*
Presenter:
Guillaume Brunin
(Universite catholique de Louvain)
Authors:
Guillaume Brunin
(Universite catholique de Louvain)
Gian-Marco Rignanese
(Universite catholique de Louvain)
Geoffroy Hautier
(Universite catholique de Louvain)
There are two types of carrier transport mechanism in materials: band transport involves delocalized carriers while small-polaron transport involves carriers trapped in the crystalline lattice. Materials exhibiting transport through small polarons have been traditionally disregarded for TCO applications as they offer small mobilities. In this work, we use well-established physical models to compare the performances of TCOs based on band- and small-polaron transports. Surprisingly, we demonstrate that small-polaron TCOs can outperform band TCOs in terms of transparency and conductivity, especially p-type.
Using our analysis, we outline the materials properties necessary for high performance small-polaron TCOs, leading to a series of design principles for the search of new efficient small-polaron p-type TCOs.
*GB acknowledges the FRS-F.N.R.S.
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