Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session D13: Industrial Microelectronics, Manufacturing, and Nanotechnology
3:00 PM–5:48 PM,
Monday, March 4, 2024
Room: M100D
Sponsoring
Unit:
FIAP
Chair: Andrés Cook, University of Chicago
Abstract: D13.00003 : Effective Band Structure of β-Ga2O3 Alloys Towards Opto-electronic Applications: A First Principles Study*
3:24 PM–3:36 PM
Presenter:
Mohamed Abdelilah Fadla
(School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, United Kingdom)
Authors:
Mohamed Abdelilah Fadla
(School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, United Kingdom)
Myrta Gruening
(School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, United Kingdom)
Lorenzo Stella
(School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, United Kingdom)
In this study, we investigate InGaO alloys by means of first principles using special quasi-random structures to model the substitutional disorder. The effective band structure of InGaO alloys reveals a systematic reduction of the band gap and electron effective mass as the In content is increased. In view of applications, the mechanical properties of InGaO alloys grown over β-Ga2O3 surfaces have been also investigated. Results are interpreted based on the site occupation preference of In atoms. Finally, we discuss the recent proposal of alloying Ga2O3 to engineer the band gap, pushing up the valence-band maximum and facilitating the acquisition of shallow acceptor states to achieve p-type doping.
*This work was supported by a research grant from the Department for the Economy Northern Ireland (DfE) under the US-Ireland R&D Partnership Programme (USI 195).Access to the computing facilities and support from the Northern Ireland High Performance Computing (NI-HPC) service funded by EPSRC (EP/T022175), and to the UK national high performance computing service, ARCHER2, through the UKCP consortium and funded by EPSRC (EP/X035891/1) are also gratefully acknowledged
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