Superconducting TaH5 at high pressure
Recently, the significant development, in the field of high-temperature superconductivity among the compressed elements hydrides (such as LaH10), opens up a door in pursuing room-temperature superconductors. Therefore, the investigations of excellent superconductivity in hydrogen-rich materials have become a hot topic of considerable interest. Herein, we explore the stabilities of compressed tantalum polyhydrides TaH n (n = 1–6) and the superconductivity by using a particle swarm optimization structure prediction methodology in combination with the first-principles electronic structure framework. As a result of structure searches, we identified a stable TaH5 compound under high pressure, which consists edge shared TaH12 polyhedra. Remarkably, within Allen–Dynes modified McMillan equation, our predicted TaH5 is a superconductor with superconducting critical temperature (T c) of 18–23 K at 100 GPa.
Citations by journals
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Current Opinion in Solid State and Materials Science
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Current Opinion in Solid State and Materials Science
1 publication, 16.67%
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Physical Review B
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Physical Review B
1 publication, 16.67%
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Applied Physics A: Materials Science and Processing
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Applied Physics A: Materials Science and Processing
1 publication, 16.67%
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Scientific Reports
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Scientific Reports
1 publication, 16.67%
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New Journal of Physics
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New Journal of Physics
1 publication, 16.67%
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Materials Today Physics
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Materials Today Physics
1 publication, 16.67%
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Citations by publishers
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Elsevier
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Elsevier
2 publications, 33.33%
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Springer Nature
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Springer Nature
2 publications, 33.33%
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American Physical Society (APS)
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American Physical Society (APS)
1 publication, 16.67%
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IOP Publishing
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IOP Publishing
1 publication, 16.67%
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