Title
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New group-V elemental bilayers : a tunable structure model with four-, six-, and eight-atom rings
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Author
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Abstract
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Two-dimensional group-V elemental materials have attracted widespread attention due to their nonzero band gap while displaying high electron mobility. Using first-principles calculations, we propose a series of new elemental bilayers with group-V elements (Bi, Sb, As). Our study reveals the dynamical stability of four-, six-, and eight-atom ring structures, demonstrating their possible coexistence in such bilayer systems. The proposed structures for Sb and As are large-gap semiconductors that are potentially interesting for applications in future nanodevices. The Bi structures have nontrivial topological properties with a direct nontrivial band gap. The nontrivial gap is shown to arise from a band inversion at the Brillouin zone center due to the strong intrinsic spin-orbit coupling in Bi atoms. Moreover, we demonstrate the possibility of tuning the properties of these materials by enhancing the ratio of six-atom rings to four-and eight-atom rings, which results in wider nontrivial band gaps and lower formation energies. |
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Language
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English
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Source (journal)
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Physical review B / American Physical Society. - New York, N.Y, 2016, currens
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Publication
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New York, N.Y
:
American Physical Society
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2017
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ISSN
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2469-9969
[online]
2469-9950
[print]
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DOI
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10.1103/PHYSREVB.96.035123
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Volume/pages
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96
:3
(2017)
, 8 p.
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Article Reference
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035123
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ISI
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000405363900005
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Medium
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E-only publicatie
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Full text (Publisher's DOI)
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Full text (open access)
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