April 22 - 26, 2024
Seattle, Washington
May 7 - 9, 2024 (Virtual)

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2024 MRS Spring Meeting
EL04.08.17

On the Possibility of p-Type Doping in BaSnO3

When and Where

Apr 24, 2024
5:00pm - 7:00pm
Flex Hall C, Level 2, Summit

Presenter(s)

Co-Author(s)

Kieran Spooner2,Joe Willis1,David Scanlon2

University College London1,University of Birmingham2

Abstract

Kieran Spooner2,Joe Willis1,David Scanlon2

University College London1,University of Birmingham2
The discovery of a p-type transparent conductor would revolutionise optoelectronic devices by enabling fully transparent p-n junctions. Of particular interest are fully transparent homojunctions, which would greatly simplify the manufacturing process and potentially aid device performance. Recent work<sup>1</sup> has produced transparent p-n junctions from BaSnO<sub>3</sub>, but the p-type behaviour of the compound has thus far been overlooked in the literature.<br/><br/>Here we seek to understand the defect and transport behaviour of p-type BaSnO<sub>3</sub> using hybrid density functional theory (DFT).<sup>2</sup> Group 1 metals Li, Na and K and group 13 metals Al, Ga and In are assessed as extrinsic p-type dopants on the Ba and Sn sites, respectively. We find that K and In are the most promising dopants, reaching concentrations of up to 4.7x10<sup>16</sup> cm<sup>-3</sup> and 1.6x10<sup>19</sup> cm<sup>-3</sup> respectively. Both, however, are compensated by low energy O vacancies, limiting the hole carrier concentrations to 5.2x10<sup>14</sup> cm<sup>-3</sup> and 9.8x10<sup>15</sup> cm<sup>-3</sup> respectively. Such high defect concentrations also severely limit the electronic transport, with room temperature mobilities of 5.96 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup> and 1.27 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup> respectively. While this does not reach the levels seen in n-type transparent conductors, it does guide the way towards the higher doping concentrations than have so far been achieved experimentally.<br/><br/>[1] Kim, H. M. <i>et al.</i>, <i>APL Mater.</i>, 2016, <b>4</b>, 056105.<br/>[2] Willis, J. <i>et al.</i>, <i>Appl. Phys. Lett.</i>, 2023, <i>accepted</i>.

Keywords

defects

Symposium Organizers

Hideki Hirayama, RIKEN
Robert Kaplar, Sandia National Laboratories
Sriram Krishnamoorthy, University of California, Santa Barbara
Matteo Meneghini, University of Padova

Symposium Support

Silver
Taiyo Nippon Sanso

Session Chairs

Robert Kaplar
Sriram Krishnamoorthy

In this Session