Spin-Orbit Coupling Effects on the Structural and Electronic Properties of Planar Pentagonal p-MS (M = Si, Ge, and Pb)
This study employs density functional theory to demonstrate that spin-orbit coupling significantly alters the structural and electronic properties of planar pentagonal p-MS (M = Si, Ge, Pb) materials, stabilizing the Ge and Pb variants while inducing a metal-to-semiconductor transition in p-PbS with a 0.475 eV band gap, thereby suggesting its potential for gas-sensing applications.