|About this Abstract
||2023 TMS Annual Meeting & Exhibition
||Hume-Rothery Symposium on First-Principles Materials Design
||Plasmonic high-entropy carbides
||Stefano Curtarolo, Arrigo Calzolari
|On-Site Speaker (Planned)
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.
||ICME, Ceramics, High-Temperature Materials