Structure dependent optoelectronic properties of monolayer antimonene, bismuthene and their binary compound

Literature Information

Publication Date 2019-03-14
DOI 10.1039/C8CP07344A
Impact Factor 3.676
Authors

D. Kecik, V. O. Özçelik, E. Durgun, S. Ciraci


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Abstract

Two-dimensional (2D) antimonene, bismuthene, and their binary compound 2D BiSb possess high spin–orbit coupling (SOC) and potential topological insulator properties upon engineering their structural and chemical properties. Based on many-body first-principles calculations, we show that these materials can exhibit isotropic or anisotropic optoelectronic properties depending on their geometry, i.e. buckled (hb) or asymmetrical washboard (aw) phases. SOC significantly alters their optoelectronic properties, which is predominantly evident in 2D bismuthene. hb-antimonene absorbs light in the visible and partially in the ultraviolet regimes, while the absorption band edge for aw-antimonene, hb- and aw-bismuthene is set at the infrared region, absorption being spread as a broadband optical response through the spectral range. An exciton binding with 0.18 eV energy is detected for hb-bismuthene. Due to their broadband optical response, antimonene, bismuthene, and their binary compound offer possibilities towards applications as 2D materials in solar cells, light-emitting devices, photodetectors and light modulation.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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