Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session D41: Defects in Oxides
3:00 PM–5:36 PM,
Monday, March 6, 2023
Room: Room 319
Sponsoring
Unit:
DMP
Chair: Hartwin Peelaers, University of Kansas
Abstract: D41.00009 : Computational Prediction and Experimental Realisation of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb2O6
5:00 PM–5:12 PM
Presenter:
Joe Willis
(University College London)
Authors:
Joe Willis
(University College London)
David O Scanlon
(University College London)
Here, we use hybrid density functional theory and a full defect chemistry analysis to demonstrate that ZnSb2O6 is an ideal transparent conducting oxide comprised of earth-abundant elements, and we identify gallium as the optimal dopant to yield high conductivity and transparency.[1] We simulate charge transport properties, such as electron mobility and scattering rates, using the AMSET code,[2] and calculate the electron affinity of ZnSb2O6 from first principles.
To validate our computational predictions, we have synthesised both powder samples and single crystals of Ga-doped ZnSb2O6 which conclusively show behaviour consistent with a degenerate transparent conducting oxide. This powerful theory-experiment collaboration emphasises the rôle of defects and defect control in semiconductors, and demonstrates the possibility of a family of Sb(V)-containing oxides for transparent conducting oxide and power electronics applications.
[1] Jackson, A. J. et al, ACS Energy Letters, 2022, 7, 3806
[2] Ganose, A. M. et al, Nat. Commun., 2021, 12, 2222
Follow Us |
Engage
Become an APS Member |
My APS
Renew Membership |
Information for |
About APSThe American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics. |
© 2024 American Physical Society
| All rights reserved | Terms of Use
| Contact Us
Headquarters
1 Physics Ellipse, College Park, MD 20740-3844
(301) 209-3200
Editorial Office
100 Motor Pkwy, Suite 110, Hauppauge, NY 11788
(631) 591-4000
Office of Public Affairs
529 14th St NW, Suite 1050, Washington, D.C. 20045-2001
(202) 662-8700