Abstract
Ternary B-C-N materials have been widely investigated during recent decades. Additionally, previous investigations have indicated that intercalation of alkali metal could induce superconductivity emerged in layer structure. Motivated by this strategy, we attempt to establish the bulk structure of K-BC2N and explore its related properties by using density functional theory calculations. Two stable phases of K-BC2N were identified with anticipated metallic feature. Therefore, we calculated electron-phonon coupling interaction of K-BC2N within Allen-Dynes modified McMillan equation. The results confirm that bulk K-BC2N is a phonon-mediated superconductor with estimated critical temperature of 3∼6 K, providing a feasible approach for design and synthesis new superconductor at atmospheric pressure.
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