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Influence of Polymorphism on the Electronic Structure of Ga$_2$O$_3$
- Source :
- CHEMISTRY OF MATERIALS
- Publication Year :
- 2020
-
Abstract
- The search for new wide band gap materials is intensifying to satisfy the need for more advanced and energy efficient power electronic devices. Ga$_2$O$_3$ has emerged as an alternative to SiC and GaN, sparking a renewed interest in its fundamental properties beyond the main $\beta$-phase. Here, three polymorphs of Ga$_2$O$_3$, $\alpha$, $\beta$ and $\varepsilon$, are investigated using X-ray diffraction, X-ray photoelectron and absorption spectroscopy, and ab initio theoretical approaches to gain insights into their structure - electronic structure relationships. Valence and conduction electronic structure as well as semi-core and core states are probed, providing a complete picture of the influence of local coordination environments on the electronic structure. State-of-the-art electronic structure theory, including all-electron density functional theory and many-body perturbation theory, provide detailed understanding of the spectroscopic results. The calculated spectra provide very accurate descriptions of all experimental spectra and additionally illuminate the origin of observed spectral features. This work provides a strong basis for the exploration of the Ga$_2$O$_3$ polymorphs as materials at the heart of future electronic device generations.<br />Comment: Updated manuscript version after peer review
- Subjects :
- Condensed Matter - Materials Science
Materials science
General Chemical Engineering
Materials Science (cond-mat.mtrl-sci)
FOS: Physical sciences
02 engineering and technology
General Chemistry
Electronic structure
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
7. Clean energy
Engineering physics
0104 chemical sciences
Polymorphism (materials science)
Materials Chemistry
Electronics
0210 nano-technology
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Journal :
- CHEMISTRY OF MATERIALS
- Accession number :
- edsair.doi.dedup.....03e96558aa28418ac464bc4e5389967e