Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevLett.112.176801
Title: Strain-induced gap modification in black phosphorus
Authors: Rodin, A.S.
Carvalho, A.
Castro Neto, A.H. 
Issue Date: 1-May-2014
Citation: Rodin, A.S., Carvalho, A., Castro Neto, A.H. (2014-05-01). Strain-induced gap modification in black phosphorus. Physical Review Letters 112 (17) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevLett.112.176801
Abstract: The band structure of single-layer black phosphorus and the effect of strain are predicted using density functional theory and tight-binding models. Having determined the localized orbital composition of the individual bands from first principles, we use the system symmetry to write down the effective low-energy Hamiltonian at the Γ point. From numerical calculations and arguments based on the crystal structure of the material, we show that the deformation in the direction normal to the plane can be used to change the gap size and induce a semiconductor-metal transition. © 2014 American Physical Society.
Source Title: Physical Review Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/126661
ISSN: 10797114
DOI: 10.1103/PhysRevLett.112.176801
Appears in Collections:Staff Publications

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