About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Hume-Rothery Symposium on First-Principles Materials Design
|
Presentation Title |
Plasmonic High-entropy Carbides |
Author(s) |
Stefano Curtarolo, Arrigo Calzolari |
On-Site Speaker (Planned) |
Stefano Curtarolo |
Abstract Scope |
Discovering multifunctional materials with tunable plasmonic properties and capable of surviving in harsh environments is critical for the development of advanced optical and telecommunication applications. We propose high-entropy transition-metal carbides because of their exceptional chemical stability and mechanical properties. With a combination of computational thermodynamic disorder modeling and time-dependent density functional theory characterization, a crossover energy was discovered in the infrared and visible range, corresponding to a metal-to-dielectric transition, exploitable for plasmonics. It was also found that the optical response of high-entropy carbides can be largely tuned from the near-IR to visible by changing the transition metal components and their concentration. By monitoring the electronic structures, we suggest rules for optimizing optical properties and designing tailored high-entropy ceramics. Thus, we propose plasmonic transition-metal high-entropy carbides (PHECs) as a new class of multifunctional materials. Their simultaneous combination of plasmonic activity, high-hardness, and extraordinary thermal stability will result in yet unexplored applications. |
Proceedings Inclusion? |
Planned: |
Keywords |
ICME, Ceramics, High-Temperature Materials |