| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Seaborg Institutes: Emerging Topics in Actinide Sciences
|
| Presentation Title |
Lanthanide-based antiperovskite nitrides |
| Author(s) |
Kevin D. Vallejo, Shuxiang Zhou, Volodymyr Buturlim, Zachery Cresswell, Brelon May, Sabin Regmi, Krzysztof Gofryk |
| On-Site Speaker (Planned) |
Kevin D. Vallejo |
| Abstract Scope |
Antiperovskite materials share the crystal structure of perovskites where anions and cations are exchanged. Antiperovskite nitrides have the formula MXN, where M is typically a transition metal and X a metallic or semiconducting element. The group of antiperovskite nitride compounds has been studied through computational modelling for their promising properties as thermoelectricity, superconductivity, and inorganic solid-state battery material. We present a new family of antiperovskite nitrides based on lanthanide elements. Using high-throughput screening of materials of density functional theory, we identified the compound Sm3GaN as a candidate for experimental synthesis. Using molecular beam epitaxy, we grew a thin film of this material and studied its structural, magnetic, electronic, and crystallographic properties. This new family of materials has the potential to enhance the already promising properties of antiperovskite nitrides through 4f electrons and their ability to be itinerant and localized, and we plan to extent these studies to 5f actinide elements. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Thin Films and Interfaces, Nuclear Materials, Characterization |