2021/09/30 by Takat B. Rawal, Ling-Hua Chang, Rawal, Takat B. +7
Materials Science · Physics and Astronomy · #2D Materials and Applications #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Superconductivity (cond-mat.supr-con) #Superconductivity in MgB2 and Alloys
paper · pdf · doi:10.48550/arxiv.2110.00105
openalex publication_date 2021/09/30 · openalex created_date 2023/02/11 · openalex updated_date 2026/07/28
Employing the density-functional theory with local density approximation, we show that the fully hydrogenated monolayer-hexagonal boron nitride (H2BN) has a direct-band gap of 2.96 eV in the blue-light region while the pristine h-BN has a wider indirect-band gap of 4.78 eV. The hole-doped H2BN is stable at low carrier density (n) but becomes dynamically unstable at higher n. We predict that it is a phonon-mediated superconductor with a transition temperature (Tc) which can reach ∼31 K at n of 1.5× 1014 holes cm-2 near the lattice instability. The Tc could be enhanced up to ∼82 K by applying a biaxial tensile strain at 6 % along with doping at n of 3.4× 1014 holes cm-2 close to a new lattice instability.