Benchmark Investigation of Band-Gap Tunability of Monolayer Semiconductors under Hydrostatic Pressure with Focus-On Antimony

In this paper, the band-gap tunability of three monolayer semiconductors under hydrostatic pressure was intensively investigated based on first-principle simulations with a focus on monolayer antimony (Sb) as a semiconductor nanomaterial. As the benchmark study, monolayer black phosphorus (BP) and m...

Full description

Saved in:
Bibliographic Details
Published in:Nanomaterials (Basel, Switzerland) Switzerland), 2020-10, Vol.10 (11), p.2154
Main Authors: Dai, Xiangyu, Qian, Zhengfang, Lin, Qiaolu, Chen, Le, Wang, Renheng, Sun, Yiling
Format: Article
Language:English
Subjects:
band-gap tunability
first principle
monolayer antimony
optoelectronics
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this paper, the band-gap tunability of three monolayer semiconductors under hydrostatic pressure was intensively investigated based on first-principle simulations with a focus on monolayer antimony (Sb) as a semiconductor nanomaterial. As the benchmark study, monolayer black phosphorus (BP) and monolayer molybdenum disulfide (MoS ) were also investigated for comparison. Our calculations showed that the band-gap tunability of the monolayer Sb was much more sensitive to hydrostatic pressure than that of the monolayer BP and MoS . Furthermore, the monolayer Sb was predicted to change from an indirect band-gap semiconductor to a conductor and to transform into a double-layer nanostructure above a critical pressure value ranging from 3 to 5 GPa. This finding opens an opportunity for nanoelectronic, flexible electronics and optoelectronic devices as well as sensors with the capabilities of deep band-gap tunability and semiconductor-to-metal transition by applying mechanical pressure.
ISSN:2079-4991
2079-4991
DOI:10.3390/nano10112154