Superconducting transition temperature of a boron nitride layer with a high niobium coverage.

We explore the possibility of inducing superconductivity in a Boron Nitride (BN) sheet, by doping its surface with Nb atoms sitting on the center of the hexagons. We used first-principles density functional theory in the general gradient approximation. The Quantum-Espresso package [1] was used with norm conserving pseudo potentials. The structure considered was relaxed to their minimum energy configuration. Phonon frequencies were calculated using the linear-response technique on several phonon wave-vector meshes. The electron-phonon coupling parameter was calculated for a number of k meshes. The superconducting critical temperature was estimated using the Allen-Dynes formula with $\mu $* $=$ 0.1 - 0.15. We note that Nb is a good candidate material to show a superconductor transition for the BN-metal system. [1] Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, \textit{et al.} Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials. J Phys Condens Matter 2009; 21\textbf{: }395502-19.