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Article: First principles modeling of pure black phosphorus devices under pressure
Title | First principles modeling of pure black phosphorus devices under pressure |
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Authors | |
Keywords | band alignment black phosphorus first principles calculation pressure sensors WKB approximation |
Issue Date | 2019 |
Publisher | Beilstein - Institut zur Foerderung der Chemischen Wissenschaften. The Journal's web site is located at http://www.beilstein-journals.org/bjnano/home/home.htm |
Citation | Beilstein Journal of Nanotechnology, 2019, v. 10, p. 1943-1951 How to Cite? |
Abstract | Black phosphorus (BP) has a pressure-dependent bandgap width and shows the potential for applications as a low-dimensional pressure sensor. We built two kinds of pure BP devices with zigzag or armchair conformation, and explored their pressure-dependent conductance in detail by using first principles calculations. The zigzag BP devices and the armchair BP devices exhibit different conductance–pressure relationships. For the zigzag BP devices conductance is robust against stress when the out-of-plane pressure ratio is less than 15%, and then increases rapidly until the conductive channels are fully opened. For the armchair pure BP devices conductance decreases at first by six orders of magnitude under increasing pressure and then increases quickly with further increase of pressure until the devices enter the on-state. This shows that the pure zigzag BP devices are more suitable for the application as flexible electronic devices with almost constant conductance under small pressure, while armchair BP devices can serve as bidirectional pressure sensors. Real-space distributions of band alignments were explored to understand the different pressure-related properties. We fitted a set of parameters based on the results from the empirical Wentzel–Kramers–Brillouin method, which provides an effortless approximation to quantitatively predict the pressure-related behaviors of large pure BP devices. |
Persistent Identifier | http://hdl.handle.net/10722/278602 |
ISSN | 2023 Impact Factor: 2.6 2023 SCImago Journal Rankings: 0.520 |
PubMed Central ID | |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Rong, X | - |
dc.contributor.author | Yu, Z | - |
dc.contributor.author | Wu, Z | - |
dc.contributor.author | Li, J | - |
dc.contributor.author | Wang, B | - |
dc.contributor.author | Wang, Y | - |
dc.date.accessioned | 2019-10-21T02:10:35Z | - |
dc.date.available | 2019-10-21T02:10:35Z | - |
dc.date.issued | 2019 | - |
dc.identifier.citation | Beilstein Journal of Nanotechnology, 2019, v. 10, p. 1943-1951 | - |
dc.identifier.issn | 2190-4286 | - |
dc.identifier.uri | http://hdl.handle.net/10722/278602 | - |
dc.description.abstract | Black phosphorus (BP) has a pressure-dependent bandgap width and shows the potential for applications as a low-dimensional pressure sensor. We built two kinds of pure BP devices with zigzag or armchair conformation, and explored their pressure-dependent conductance in detail by using first principles calculations. The zigzag BP devices and the armchair BP devices exhibit different conductance–pressure relationships. For the zigzag BP devices conductance is robust against stress when the out-of-plane pressure ratio is less than 15%, and then increases rapidly until the conductive channels are fully opened. For the armchair pure BP devices conductance decreases at first by six orders of magnitude under increasing pressure and then increases quickly with further increase of pressure until the devices enter the on-state. This shows that the pure zigzag BP devices are more suitable for the application as flexible electronic devices with almost constant conductance under small pressure, while armchair BP devices can serve as bidirectional pressure sensors. Real-space distributions of band alignments were explored to understand the different pressure-related properties. We fitted a set of parameters based on the results from the empirical Wentzel–Kramers–Brillouin method, which provides an effortless approximation to quantitatively predict the pressure-related behaviors of large pure BP devices. | - |
dc.language | eng | - |
dc.publisher | Beilstein - Institut zur Foerderung der Chemischen Wissenschaften. The Journal's web site is located at http://www.beilstein-journals.org/bjnano/home/home.htm | - |
dc.relation.ispartof | Beilstein Journal of Nanotechnology | - |
dc.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
dc.subject | band alignment | - |
dc.subject | black phosphorus | - |
dc.subject | first principles calculation | - |
dc.subject | pressure sensors | - |
dc.subject | WKB approximation | - |
dc.title | First principles modeling of pure black phosphorus devices under pressure | - |
dc.type | Article | - |
dc.identifier.authority | Wang, Y=rp01851 | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.3762/bjnano.10.190 | - |
dc.identifier.pmid | 31598461 | - |
dc.identifier.pmcid | PMC6774076 | - |
dc.identifier.scopus | eid_2-s2.0-85072880372 | - |
dc.identifier.hkuros | 307246 | - |
dc.identifier.volume | 10 | - |
dc.identifier.spage | 1943 | - |
dc.identifier.epage | 1951 | - |
dc.identifier.isi | WOS:000487516800002 | - |
dc.publisher.place | Germany | - |
dc.identifier.issnl | 2190-4286 | - |