@article{88d88ebd4896416fb5fdd52d7c327b94,
title = "Reversible Pressure-Induced Partial Phase Transition in Few-Layer Black Phosphorus",
abstract = "The experimental identification of structural transitions in layered black phosphorus (BP) under mechanical stress is essential to extend its application in microelectromechanical (MEMS) devices under harsh conditions. High-pressure Raman spectroscopic analysis of BP flakes suggests a transition pressure at ∼4.2 GPa, where the BP's crystal structure progressively transforms from an orthorhombic to a rhombohedral symmetry (blue phosphorus, bP). The phase transition has been identified by observing a transition from blueshift to redshift of the in-plane characteristic Raman modes (B2g and Ag2) with increasing pressure. Recovery of the vibrational frequencies for all three characteristic Raman modes confirms the reversibility of the structural phase transition. First-principles calculations provide insight into the behavior of the Raman modes of BP under high pressure and reveal the mechanism responsible for the partial phase transition from BP to bP, corresponding to a metastable equilibrium state where both phases coexist.",
author = "Anirban Kundu and Damien Tristant and Natalya Sheremetyeva and Anthony Yoshimura and {Torres Dias}, Abraao and Hazra, {Kiran Shankar} and Vincent Meunier and Pascal Puech",
note = "Funding Information: A.K. would like to acknowledge DST, GOI, for a PhD fellowship and CEFIPRA for a Raman Charpak fellowship. K.S.H. would like to acknowledge the internal funding of INST Mohali and DST-SERB project EEQ/2019/000497 for supporting the project. D.T. acknowledges support from the Office of Naval Research. A.Y. was supported by the National Science Foundation (award 1608171). V.M. and N.S. were supported by the NSF-2D Materials Data Framework grant. Part of this work was performed using supercomputing resources provided by the Center for Computational Innovations (CCI) at Rensselaer Polytechnic Institute. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program. The SCGSR program is administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE. ORISE is managed by ORAU under contract no. DE-SC0014664. All opinions expressed in this paper are those of the authors and do not necessarily reflect the policies and views of DOE, ORAU, or ORISE. Publisher Copyright: {\textcopyright} 2020 American Chemical Society.",
year = "2020",
month = aug,
day = "12",
doi = "10.1021/acs.nanolett.0c01784",
language = "English (US)",
volume = "20",
pages = "5929--5935",
journal = "Nano letters",
issn = "1530-6984",
publisher = "American Chemical Society",
number = "8",
}