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arXiv · 1810.04919

Are Small Polarons Always Detrimental to Transparent Conducting Oxides ?

Guillaume Brunin·Gian-Marco Rignanese·Geoffroy Hautier
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Abstract

Transparent conducting oxides (TCOs) are essential to many technologies including solar cells and transparent electronics. The search for high performance n- or p-type TCOs has mainly focused on materials offering transport through band carriers instead of small polarons. In this work, we break this paradigm and demonstrate using well-known physical models that, in certain circumstances, TCOs exhibiting transport by small polarons offer a better combination of transparency and conductivity than materials conducting through band transport. We link this surprising finding to the fundamentally different physics of optical absorption for band and polaronic carriers. Our work rationalizes the good performances of recently emerging small-polaronic Cr-based p-type TCOs such as Sr-doped LaCrO$_3$ and outlines design principles for the development of high-performance TCOs based on transport by small polarons. This opens new avenues for the discovery of high-performance TCOs especially p-type.

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Guillaume Brunin, Gian-Marco Rignanese, Geoffroy Hautier. 2018-10-11. Are Small Polarons Always Detrimental to Transparent Conducting Oxides ?. https://doi.org/10.1103/physrevmaterials.3.064602

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