fig1
From: Tunable type-I band alignment and electronic structure of GaSe/MoSi2N4 van der Waals heterostructure
Figure 1. (A-C) Shows the optimized atomic structure, phonon dispersion curve (D-F); (G-I) HSE06 projected band structure and state density are 1T-GaSe, 1T-MoSi2N4, 2H-MoSi2N4; (J-L) are the PBE projected band structure and state density of 1T-GaSe, 1T-MoSi2N4, 2H-MoSi2N4. The green, orange, red, blue, and silver spheres represent selenium, gallium, molybdenum, silicon, and nitrogen atoms. HES06: Heyd-scuseria-ernzerhof; GaSe: Gallium selenid; PBE: Perdew, burke, and ernzerhof.
