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Title
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Hydrogen-induced high-temperature superconductivity in two-dimensional materials : the example of hydrogenated monolayer
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Author
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Abstract
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| Hydrogen-based compounds under ultrahigh pressure, such as the polyhydrides H3S and LaH10, superconduct through the conventional electron-phonon coupling mechanism to attain the record critical temperatures known to date. Here we exploit the intrinsic advantages of hydrogen to strongly enhance phonon-mediated superconductivity in a completely different system, namely, a two-dimensional material with hydrogen adatoms. We find that van Hove singularities in the electronic structure, originating from atomiclike hydrogen states, lead to a strong increase of the electronic density of states at the Fermi level, and thus of the electron-phonon coupling. Additionally, the emergence of high-frequency hydrogen-related phonon modes in this system boosts the electron-phonon coupling further. As a concrete example, we demonstrate the effect of hydrogen adatoms on the superconducting properties of monolayer MgB2, by solving the fully anisotropic Eliashberg equations, in conjunction with a first-principles description of the electronic and vibrational states, and their coupling. We show that hydrogenation leads to a high critical temperature of 67 K, which can be boosted to over 100 K by biaxial tensile strain. |
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Language
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English
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Source (journal)
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Physical review letters. - New York, N.Y., 1958, currens
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Publication
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New York, N.Y.
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American Physical Society
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2019
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ISSN
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0031-9007
[print]
1079-7114
[online]
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DOI
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10.1103/PHYSREVLETT.123.077001
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Volume/pages
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123
:7
(2019)
, 6 p.
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Article Reference
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077001
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ISI
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000480611900017
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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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