Engineering the electronic and optoelectronic properties of InX (X = S, Se, Te) monolayers via strain

Literature Information

Publication Date 2017-01-09
DOI 10.1039/C6CP08158D
Impact Factor 3.676
Authors

Hao Jin, Jianwei Li, Ying Dai, Yadong Wei


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Abstract

In this paper, we present a comprehensive study on the electronic and optoelectronic properties of indium monochalcogenide (InX with X = S, Se, Te) monolayers with and without strains. Our results show that InX monolayers are indirect semiconductors. Upon the application of strain, the band structures can be modulated and an indirect-to-direct bandgap transition is observed in an InSe monolayer. The electron mobility of up to 2.0 × 103 cm2 (V s)−1 is quantitatively determined in the framework of deformation potential theory. Though the mobility of holes is relatively small, it can be greatly improved by introducing compressive strain, with a value up to 2.8 × 103 cm2 (V s)−1. In addition, the performance of the photoresponse of InX monolayers is evaluated based on first-principles calculations. Under illumination, the InX based systems exhibit high photoresponsivity (Rph = 0.18 A W−1) and external quantum efficiency (EQE = 62.5%), which can be further enhanced via strain. Owing to such excellent electronic and optoelectronic merits, InX monolayers will become promising candidates for next-generation ultrathin and flexible electronic and optoelectronic devices.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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