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Issue 38, 2017
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Investigation of superconductivity in compressed vanadium hydrides

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Abstract

Aiming at finding new superconducting materials, we performed systematical simulations on phase diagrams, crystal structures, and electronic properties of vanadium hydrides under high pressures. The VH, VH2, VH3, and VH5 species were found to be stable under high pressures; among these, VH2 had previously been investigated. Moreover, all three novel stoichiometries showed a strong ionic character as a result of the charge transfer from V to H. The electron–phonon coupling calculations revealed the potentially superconductive nature of these vanadium hydrides, with estimated superconducting critical temperature (Tc) values of 6.5–10.7 K for R[3 with combining overline]m (VH), 8.0–1.6 K for Fm[3 with combining overline]m (VH3), and 30.6–22.2 K for P6/mmm (VH5) within the pressure range from 150 GPa to 250 GPa.

Graphical abstract: Investigation of superconductivity in compressed vanadium hydrides

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Publication details

The article was received on 22 May 2017, accepted on 21 Aug 2017 and first published on 21 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP03435K
Citation: Phys. Chem. Chem. Phys., 2017,19, 26280-26284
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    Investigation of superconductivity in compressed vanadium hydrides

    Q. Zhuang, X. Jin, Q. Lv, Y. Li, Z. Shao, Z. Liu, X. Li, H. Zhang, X. Meng, K. Bao and T. Cui, Phys. Chem. Chem. Phys., 2017, 19, 26280
    DOI: 10.1039/C7CP03435K

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