5 papers · 1 filter
β-Ga2O3-Based Heterojunctions: Exploring Growth Orientations and Alloying on Electronic Properties
Mohamed Abdelilah Fadla, Khushabu Agrawal, Paolo La Torraca +3
We investigate the effects of alloying and growth orientation on the electronic properties of the ultra-wide bandgap semiconductor β-Ga2O3 and pseudomorphic (AlxGa1-x)2O3 alloy he…
Universal Stability of Ga Split Vacancies across α-, β-, and κ-Ga2O3 Polymorphs: A Machine-Learning Accelerated Study
Mohamed Abdelilah Fadla, Myrta Grüning, Lorenzo Stella
Split Ga vacancies are the dominant native acceptor in -; however, their role in and phases has been largely overlooked or assumed to be unfavorable. A detai…
Tailoring the Electronic Properties of Monoclinic (InxAl1-x)2O3 Alloys via Substitutional Donors and Acceptors
Mohamed Abdelilah Fadla, Myrta Grüning, Lorenzo Stella
Ultra-wide bandgap semiconductors such as \b{eta}-Ga2O3 are ideal materials for next-generation power electronic devices. Electronic and mechanical properties of \b{eta}-Ga2O3 can…
Effect of pressure, doping and magnetism on electronic structure and phonon dispersion of FeSe
Abyay Ghosh, Piotr Chudzinski, Myrta Grüning
We present a Density Functional Theory (DFT) based first-principles study on iron chalcogenides superconductor FeSe, systematically investigating pressure and doping induced modifi…
The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling
Fabio Caruso, Michael A. Sentef, Claudio Attaccalite +27
The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for und…