Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/5997
Title: Electronic and optical properties of bilayer blue phosphorus
Authors: Moğulkoç, Yeşim
Modarresi, Mohsen
Moğulkoç, Aybey
Çiftci, Yasemin
Keywords: Blue phosphorus
Density functional theory
Optical properties
Tight-binding
Binding energy
Issue Date: 1-Nov-2016
Publisher: Elsevier Ltd.
Source: Moğulkoç, Y., Modarresi, M., Moğulkoç, A., and Çiftci, Y. (2016). Electronic and optical properties of bilayer blue phosphorus. Computational Materials Science, 124, 23-29. doi:10.1016/j.commatsci.2016.07.015
Abstract: We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB Hamiltonian for monolayer and bilayer blue phosphorus by using the DFT results. The variation of energy band gap with applied external electric field for two different stacks of bilayer blue phosphorus are also shown. We examine the linear response of the systems due to the external electromagnetic radiation in terms of the dielectric functions in the DFT theory. The relatively large electronic band gap and possibility of exfoliation form bulk structure due to weak interlayer coupling, make blue phosphorus an appropriate candidate for future electronic devices.
URI: http://doi.org/10.1016/j.commatsci.2016.07.015
http://hdl.handle.net/11147/5997
ISSN: 0927-0256
Appears in Collections:Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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