Apr 24, 2024
5:00pm - 7:00pm
Flex Hall C, Level 2, Summit
Kieran Spooner2,Joe Willis1,David Scanlon2
University College London1,University of Birmingham2
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>.