Synthesis of U_0.92Mn₃Si₂C Using Organic Carbon Source

Traditionally, carbides are synthesized using the synthetic route of carbothermal reduction, electrolysis, or solid‐state reactions. The stability and low reactivity of elemental C under ambient conditions require high reaction temperatures that can only be achieved through the use of arc melters and induction furnaces. Electrolysis is one alternative method that operates at lower temperatures but the preparation is often labor‐intensive and time‐consuming. The use of organic compounds as a source of reactive C provides an avenue for obtaining carbides that otherwise require high temperatures. In this report, we employed wax as a C source to synthesize a new quaternary metallic carbide, U 0.92 Mn 3 Si 2 C, studied its structure, and investigated its electronic properties using density functional theory (DFT) calculations. The use of an organic compound as a C source in a flux reaction allows us to obtain single crystals at relatively low temperatures (≤1050 °C) compared to those required for the more traditional carbide syntheses (≥1900 °C). Band structure and density of states calculations confirm the metallic nature of the compound and revealed that the Mn 3 d and U 5 f orbitals are the main contributors to the states near the Fermi level.