Enhanced electronic and magnetic properties by functionalization of monolayer GaS via substitutional doping and adsorption

• Published in: Journal of physics. Condensed matter Vol. 30; no. 19; p. 195805
• Main Authors: Ur Rahman, Altaf, Rahman, Gul, Kratzer, Peter
• Format: Journal Article
• Language: English
• Published: England IOP Publishing 16.05.2018
• Subjects: density functional theory; electronic structure; local density approximation; magnetism; monolayer group III metal chalcogenides

The structural, electronic, and magnetic properties of two-dimensional (2D) GaS are investigated using density functional theory (DFT). After confirming that the pristine 2D GaS is a non-magnetic, indirect band gap semiconductor, we consider N and F as substitutional dopants or adsorbed atoms. Excep...