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Title
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Stable anisotropic single-layer of ReTe₂ : a first principles prediction
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Author
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Abstract
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| In order to investigate the structural, vibrational, electronic, and mechanical features of single-layer ReTe2 first-principles calculations are performed. Dynamical stability analyses reveal that single-layer ReTe2 crystallize in a distorted phase while its 1H and 1T phases are dynamically unstable. Raman spectrum calculations show that single-layer distorted phase of ReTe2 exhibits 18 Raman peaks similar to those of ReS2 and ReSe2. Electronically, single-layer ReTe2 is shown to be an indirect gap semiconductor with a suitable band gap for optoelectronic applications. In addition, it is found that the formation of Re-units in the crystal induces anisotropic mechanical parameters. The in-plane stiffness and Poisson ratio are shown to be significantly dependent on the lattice orientation. Our findings indicate that single-layer form of ReTe2 can only crystallize in a dynamically stable distorted phase formed by the Re-units. Single-layer of distorted ReTe2 can be a potential in-plane anisotropic material for various nanotechnology applications. |
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Language
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English
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Source (journal)
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Turkish Journal of Physics
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Publication
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2020
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ISSN
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1300-0101
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DOI
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10.3906/FIZ-2004-17
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Volume/pages
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44
:5
(2020)
, p. 450-457
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ISI
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000585330600004
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Full text (Publisher's DOI)
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Full text (open access)
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