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Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen
Author(s) -
Bi Tiange,
Miller Daniel P.,
Shamp Andrew,
Zurek Eva
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201701660
Subject(s) - diborane , hydrogen , phosphine , hydride , metastability , superconductivity , phase (matter) , phosphorus , chemical physics , stoichiometry , chemistry , molecule , materials science , crystallography , inorganic chemistry , condensed matter physics , boron , metallurgy , biochemistry , physics , organic chemistry , catalysis
At 80 GPa, phases with the PH 2 stoichiometry, which are composed of simple cubic like phosphorus layers capped with hydrogen atoms and layers of H 2 molecules, are predicted to be important species contributing to the recently observed superconductivity in compressed phosphine. The electron–phonon coupling in these phases results from the motions of the phosphorus atoms and the hydrogen atoms bound to them. The role of the mobile H 2 layers is to decrease the Coulomb repulsion between the negatively charged hydrogen atoms capping the phosphorus layers. An insulating PH 5 phase, the structure and bonding of which is reminiscent of diborane, is also predicted to be metastable at this pressure.