Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties.In this work,we study the structural,electronic,and optical prope...Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties.In this work,we study the structural,electronic,and optical properties of vertically stacked GaS-SnS_(2)heterostructure under the frame of density functional theory.We find that the stacked GaS-SnS_(2)heterostructure is a semiconductor with a suitable indirect band gap of 1.82 eV,exhibiting a type-Ⅱband alignment for easily separating the photo-generated carriers.The electronic properties of GaS-SnS_(2)hetero structure can be effectively tuned by an external strain and electric field.The optical absorption of GaS-SnS_(2)heterostructure is more enhanced than those of the GaS monolayer and SnS_(2)monolayer in the visible light region.Our results suggest that the GaS-SnS_(2)hetero structure is a promising candidate for the photocatalyst and photoelectronic devices in the visible light region.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.1186040026)the Incubation Project for High-Level Scientific Research Achievements of Hubei Minzu University,China(Grant No.4205009)the Fund of the Educational Commission of Hubei Province,China(Grant No.T201914)。
文摘Vertically stacked heterostructures have received extensive attention because of their tunable electronic structures and outstanding optical properties.In this work,we study the structural,electronic,and optical properties of vertically stacked GaS-SnS_(2)heterostructure under the frame of density functional theory.We find that the stacked GaS-SnS_(2)heterostructure is a semiconductor with a suitable indirect band gap of 1.82 eV,exhibiting a type-Ⅱband alignment for easily separating the photo-generated carriers.The electronic properties of GaS-SnS_(2)hetero structure can be effectively tuned by an external strain and electric field.The optical absorption of GaS-SnS_(2)heterostructure is more enhanced than those of the GaS monolayer and SnS_(2)monolayer in the visible light region.Our results suggest that the GaS-SnS_(2)hetero structure is a promising candidate for the photocatalyst and photoelectronic devices in the visible light region.
