Semiconducting Layered Blue Phosphorus: A Computational Study
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- 1 May 2014
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 112 (17), 176802
- https://doi.org/10.1103/physrevlett.112.176802
Abstract
We investigate a previously unknown phase of phosphorus that shares its layered structure and high stability with the black phosphorus allotrope. We find the in-plane hexagonal structure and bulk layer stacking of this structure, which we call “blue phosphorus,” to be related to graphite. Unlike graphite and black phosphorus, blue phosphorus displays a wide fundamental band gap. Still, it should exfoliate easily to form quasi-two-dimensional structures suitable for electronic applications. We study a likely transformation pathway from black to blue phosphorus and discuss possible ways to synthesize the new structure.Keywords
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Funding Information
- National Science Foundation (EEC-0832785)
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