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 B41: Defects in Gallium Oxide
11:30 AM–2:18 PM,
Monday, March 6, 2023
Room: Room 319
Sponsoring
Unit:
DMP
Chair: Jorge Munoz, University of Texas at El Paso
Abstract: B41.00002 : Alloys of orthorhombic Ga2O3, Al2O3 , and In2O3*
12:06 PM–12:18 PM
Presenter:
Hartwin Peelaers
(University of Kansas)
Authors:
Hartwin Peelaers
(University of Kansas)
Sierra C Seacat
(University of Kansas)
John L Lyons
(United States Naval Research Laboratory)
Here we use density functional theory with hybrid functionals to elucidate how alloying Ga2O3 with Al2O3 and In2O3 can be used to modify the structural and electronic properties. We focus on how the lattice constants and bandgaps can be tuned as a function of Al/ In concentration. Our results [1, 2] show that the lattice constants vary linearly following Vegard’s law. The bandgap changes nonlinearly, with the Al alloys exhibiting a larger bandgap bowing. The absolute positions of the valence and conduction band edges, important for heterostructures, are also discussed. Finally, we will elucidate the properties of alloys of orthorhombic In2O3 and Al2O3, which can be used to increase the design space of heterostructures. These results can be used to guide experimental design of new devices.
[1] S. Seacat, H. Peelaers, and J.L. Lyons. Appl. Phys. Lett. 116, 232102 (2020).
[2] S. Seacat, H. Peelaers, and J.L. Lyons. Appl. Phys. Lett. 119, 042104 (2021).
*Work supported by the Office of Naval Research through the Naval Research Laboratory's Basic Research Program.
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