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Electronic Properties and Interlayer Interactions in Antimony Oxide Homo‐ and Heterobilayers
,
Roland Gillen ,
Janina Maultzsch
physica status solidi (b), Volume: 260, Issue: 12
Swansea University Author:
Roland Gillen
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DOI (Published version): 10.1002/pssb.202300376
Abstract
Antimony shows promise as a 2D mono-elemental crystal, referred to as antimonene. When exposed to ambient conditions, antimonene layers react with oxygen, forming new crystal structures, leading to significant changes in electronic properties. These changes are influenced by the degree of oxidation....
| Published in: | physica status solidi (b) |
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| ISSN: | 0370-1972 1521-3951 |
| Published: |
Wiley
2023
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| Online Access: |
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| URI: | https://cronfa.swan.ac.uk/Record/cronfa66644 |
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| Abstract: |
Antimony shows promise as a 2D mono-elemental crystal, referred to as antimonene. When exposed to ambient conditions, antimonene layers react with oxygen, forming new crystal structures, leading to significant changes in electronic properties. These changes are influenced by the degree of oxidation. Utilizing density-functional theory calculations, stable configurations of bilayer antimony oxide and their corresponding electronic properties are studied. Additionally, different stacking arrangements and their effects on the physical properties of the materials are investigated. Furthermore, the analysis encompasses strain-free heterobilayers containing both pristine and oxidized antimonene layers, aiming to understand the interplay between these materials and their collective impact on the bilayer properties. In the results, insight is provided into how the properties of antimony-based bilayer structures can be modified by adjusting stoichiometry and stacking configurations. |
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| Keywords: |
2D materials; antimonene; density-functional theory (DFT); tunable bandgaps |
| College: |
Faculty of Science and Engineering |
| Funders: |
Federal and Bavarian State Authorities. Grant Number: Project b181dc
Erlangen National High Performance Computing Center (NHR@FAU). Grant Number: Project b181dc
German Research Foundation (DFG). Grant Number: 440719683
Deutsche Forschungsgemeinschaft (DFG). Grant Numbers: 182849149, SFB 953 |
| Issue: |
12 |