Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen

Bi, Tiange; Miller, Daniel P.; Shamp, Andrew; Zurek, Eva

doi:10.1002/anie.201701660

Title: Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen

Journal Article · Fri May 05 00:00:00 EDT 2017 · Angewandte Chemie (International Edition)

DOI:https://doi.org/10.1002/anie.201701660· OSTI ID:1533101

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State Univ. of New York (SUNY), Buffalo, NY (United States)

Abstract 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.

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Research Organization:: Carnegie Inst. of Washington, Washington, DC (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: NA0002006

OSTI ID:: 1533101

Alternate ID(s):: OSTI ID: 1374468

Journal Information:: Angewandte Chemie (International Edition), Vol. 56, Issue 34; ISSN 1433-7851

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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References (23)

The pressure effect on the superconducting transition temperature of black phosphorus Karuzawa, M.; Ishizuka, M.; Endo, S. Journal of Physics: Condensed Matter, Vol. 14, Issue 44 https://doi.org/10.1088/0953-8984/14/44/372	journal	October 2002
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure Flores-Livas, José A.; Amsler, Maximilian; Heil, Christoph Physical Review B, Vol. 93, Issue 2 https://doi.org/10.1103/PhysRevB.93.020508	journal	January 2016
Hydrogen Dominant Metallic Alloys: High Temperature Superconductors? Ashcroft, N. W. Physical Review Letters, Vol. 92, Issue 18 https://doi.org/10.1103/PhysRevLett.92.187002	journal	May 2004
Superconductivity and Chemistry Simon, Arndt Angewandte Chemie International Edition in English, Vol. 36, Issue 17 https://doi.org/10.1002/anie.199717881	journal	September 1997
The Chemical Imagination at Work inVery Tight Places Grochala, Wojciech; Hoffmann, Roald; Feng, Ji Angewandte Chemie International Edition, Vol. 46, Issue 20 https://doi.org/10.1002/anie.200602485	journal	May 2007
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system Drozdov, A. P.; Eremets, M. I.; Troyan, I. A. Nature, Vol. 525, Issue 7567 https://doi.org/10.1038/nature14964	journal	August 2015
Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity Duan, Defang; Liu, Yunxian; Tian, Fubo Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep06968	journal	November 2014
Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on Zurek, Eva; Grochala, Wojciech Physical Chemistry Chemical Physics, Vol. 17, Issue 5 https://doi.org/10.1039/C4CP04445B	journal	January 2015
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction Lonie, David C.; Zurek, Eva Computer Physics Communications, Vol. 182, Issue 2 https://doi.org/10.1016/j.cpc.2010.07.048	journal	February 2011
Proton or Deuteron Transfer in Phase IV of Solid Hydrogen and Deuterium Liu, Hanyu; Ma, Yanming Physical Review Letters, Vol. 110, Issue 2 https://doi.org/10.1103/PhysRevLett.110.025903	journal	January 2013
X-ray diffraction and equation of state of hydrogen at megabar pressures Loubeyre, P.; LeToullec, R.; Hausermann, D. Nature, Vol. 383, Issue 6602 https://doi.org/10.1038/383702a0	journal	October 1996
Decomposition Products of Phosphine Under Pressure: PH ₂ Stable and Superconducting? Shamp, Andrew; Terpstra, Tyson; Bi, Tiange Journal of the American Chemical Society, Vol. 138, Issue 6 https://doi.org/10.1021/jacs.5b10180	journal	February 2016
Chemie unter höchsten Drücken: eine Herausforderung für die chemische Intuition Grochala, Wojciech; Hoffmann, Roald; Feng, Ji Angewandte Chemie, Vol. 119, Issue 20 https://doi.org/10.1002/ange.200602485	journal	May 2007
Quasimolecules in Compressed Lithium Miao, Mao-sheng; Hoffmann, Roald; Botana, Jorge Angewandte Chemie International Edition, Vol. 56, Issue 4 https://doi.org/10.1002/anie.201608490	journal	December 2016
The metallization and superconductivity of dense hydrogen sulfide Li, Yinwei; Hao, Jian; Liu, Hanyu The Journal of Chemical Physics, Vol. 140, Issue 17 https://doi.org/10.1063/1.4874158	journal	May 2014
Quasimolecules in Compressed Lithium Miao, Mao-sheng; Hoffmann, Roald; Botana, Jorge Angewandte Chemie, Vol. 129, Issue 4 https://doi.org/10.1002/ange.201608490	journal	December 2016
Crystal Structure and Superconductivity of PH ₃ at High Pressures Liu, Hanyu; Li, Yinwei; Gao, Guoying The Journal of Physical Chemistry C, Vol. 120, Issue 6 https://doi.org/10.1021/acs.jpcc.5b12009	journal	February 2016
Simple-cubic–simple-hexagonal transition in phosphorus under pressure Akahama, Yuichi; Kobayashi, Mototada; Kawamura, Haruki Physical Review B, Vol. 59, Issue 13 https://doi.org/10.1103/PhysRevB.59.8520	journal	April 1999
Mercury under Pressure acts as a Transition Metal: Calculated from First Principles Botana, Jorge; Wang, Xiaoli; Hou, Chunju Angewandte Chemie, Vol. 127, Issue 32 https://doi.org/10.1002/ange.201503870	journal	July 2015
Supraleitung und Chemie Simon, Arndt Angewandte Chemie, Vol. 109, Issue 17 https://doi.org/10.1002/ange.19971091705	journal	September 1997
Mercury under Pressure acts as a Transition Metal: Calculated from First Principles Botana, Jorge; Wang, Xiaoli; Hou, Chunju Angewandte Chemie International Edition, Vol. 54, Issue 32 https://doi.org/10.1002/anie.201503870	journal	July 2015
Dissociation products and structures of solid $H_{2} S$ at strong compression Li, Yinwei; Wang, Lin; Liu, Hanyu Physical Review B, Vol. 93, Issue 2 https://doi.org/10.1103/PhysRevB.93.020103	journal	January 2016
High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides Fu, Yuhao; Du, Xiangpo; Zhang, Lijun Chemistry of Materials, Vol. 28, Issue 6 https://doi.org/10.1021/acs.chemmater.5b04638	journal	February 2016

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Stoichiometric evolutions of PH3 under high pressure: implication for high-Tc superconducting hydrides Yuan, Ye; Li, Yinwei; Fang, Guoyong National Science Review, Vol. 6, Issue 3 https://doi.org/10.1093/nsr/nwz010	journal	January 2019
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
chemistry
density functional calculations
electronic structure
high pressure chemistry
phosphorus
superconductors

Title: Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen

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