A New Phosphorus Allotrope with Direct Band Gap and High Mobility
arXiv:1705.05073 · doi:10.1021/acs.jpclett.7b02153
Abstract
Based on ab initio evolutionary crystal structure search computation, we report a new phase of phosphorus called green phosphorus (λ-P), which exhibits the direct band gaps ranging from 0.7 to 2.4 eV and the strong anisotropy in optical and transport properties. Free energy calculations show that a single-layer form, termed green phosphorene, is energetically more stable than blue phosphorene and a phase transition from black to green phosphorene can occur at temperatures above 87 K. Due to its buckled structure, green phosphorene can be synthesized on corrugated metal surfaces rather than clean surfaces.
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Cited by in corpus (10)
- Monolayer, Bilayer and Heterostructures of Green Phosphorene for Water Splitting and Photovoltaics
- A Perspective on Recent Advances in Phosphorene Functionalization and its Application in Devices
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