Emergence of superconductivity in doped H2O ice at high pressure

We investigate the possibility of achieving high-temperature superconductivity in hydrides under pressure by inducing metallization of otherwise insulating phases through doping, a path previously used to render standard semiconductors superconducting at ambient pressure. Following this idea, we study H2O, one of the most abundant and well-studied substances, we identify nitrogen as the most likely and promising substitution/dopant. We show that for realistic levels of doping of a few percent, the phase X of ice becomes superconducting with a critical temperature of about 60 K at 150 GPa. In view of the vast number of hydrides that are strongly covalent bonded, but that remain insulating up to rather large pressures, our results open a series of new possibilities in the quest for novel high-temperature superconductors.

• Publication year

  2016

• Venue

  Scientific Reports

• Publication date

  2016-10-13

• Fields of study

  Materials Science, Physics, Medicine

• Identifiers
  DOI 10.1038/s41598-017-07145-4arXiv 1610.04110PMID 28754909PMCID 5533783
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Tight-Binding Model

  2019cited by this paper
• Ionic and superionic phases in ammonia dihydrate NH3·2H2O under high pressure

  2017cited by this paper
• The optimal one dimensional periodic table: a modified Pettifor chemical scale from data mining

  2016cited by this paper
• Van Hove singularities and spectral smearing in high-temperature superconducting H 3 S

  2015cited by this paper
• Superconductivity above 100 K in PH3 at high pressures

  2015cited by this paper
• High temperature superconductivity in sulfur and selenium hydrides at high pressure

  2015cited by this paper
• Pressure-induced decomposition of solid hydrogen sulfide

  2015cited by this paper
• Superconductivity: Extraordinarily conventional

  2015cited by this paper
• Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system

  2015cited by this paper
• Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

  2015cited by this paper
• Possible "Magnéli" Phases and Self-Alloying in the Superconducting Sulfur Hydride.

  2015cited by this paper
• Metallization and Superconductivity in the Hydrogen-Rich Ionic Salt BaReH9

  2015cited by this paper
• Dielectric Anomalies in Crystalline Ice: Indirect Evidence of the Existence of a Liquid–Liquid Critical Point in H2O

  2015cited by this paper
• Band structure and electron-phonon coupling in H3S: A tight-binding model

  2015cited by this paper
• Superconductivity of novel tin hydrides (SnnHm) under pressure

  2015cited by this paper
• Influence of bonding on superconductivity in high-pressure hydrides

  2015cited by this paper
• First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides

  2015cited by this paper
• Tellurium Hydrides at High Pressures: High-Temperature Superconductors.

  2015cited by this paper
• Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure

  2015cited by this paper
• Solid oxygen ζ phase and its transition from ∊ phase at extremely high pressure: A first-principles analysis

  2015cited by this paper
• Impact of van Hove singularities in the strongly coupled high temperature superconductor H3S

  2015cited by this paper
• Stable structures of He and H 2 O at high pressure

  2015cited by this paper
• High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor.

  2015cited by this paper
• Aromaticity, closed-shell effects, and metallization of hydrogen.

  2014cited by this paper
• Experimental and theoretical evidence for an ionic crystal of ammonia at high pressure

  2014cited by this paper
• Synthesis of sodium polyhydrides at high pressures

  2014cited by this paper
• Crystal structure of bis{2-[(E)-(4-methoxylbenzyl)iminomethyl]phenolato-κ2 N,O 1}nickel(II)

  2014cited by this paper
• Composition and Constitution of Compressed Strontium Polyhydrides

  2014cited by this paper
• Superconductivity of lithium-doped hydrogen under high pressure.

  2014cited by this paper
• Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity

  2014cited by this paper
• What superconducts in sulfur hydrides under pressure and why

  2014cited by this paper
• Novel Hydrogen Hydrate Structures under Pressure

  2013cited by this paper
• Decomposition and Terapascal phases of water ice.

  2013cited by this paper
• Toward Determination of the New Hydrogen Hydrate Clathrate Structures

  2013cited by this paper
• Isotopic differentiation and sublattice melting in dense dynamic ice

  2013cited by this paper
• Synchrotron infrared measurements of dense hydrogen to 360 GPa.

  2012cited by this paper
• Ab initio study revealing a layered structure in hydrogen-rich KH 6 under high pressure

  2012cited by this paper
• Erratum: High-temperature superconductivity in atomic metallic hydrogen (Physical Review B - Condensed Matter and Materials Physics)

  2012cited by this paper
• Ice structures, patterns, and processes: A view across the icefields

  2012cited by this paper
• H 4 O and other hydrogen-oxygen compounds at giant-planet core pressures

  2012cited by this paper
• Phase Behavior of H2 + H2O at High Pressures and Low Temperatures

  2011cited by this paper
• Conductive dense hydrogen.

  2011cited by this paper
• High-temperature superconductivity in atomic metallic hydrogen

  2011cited by this paper
• High-pressure structures of disilane and their superconducting properties.

  2011cited by this paper
• Novel cooperative interactions and structural ordering in H2S-H2.

  2011cited by this paper
• Ground-state structures of ice at high pressures from ab initio random structure searching

  2011cited by this paper
• High-pressure synthesis, amorphization, and decomposition of silane.

  2011cited by this paper
• Superconductivity in doped clathrates, diamond and silicon

  2011cited by this paper
• Novel Cooperative Interactions and Structural Ordering in H2S-H2

  2011cited by this paper
• Superconductivity at ∼100 K in dense SiH4(H2)2 predicted by first principles

  2010cited by this paper
• Silane plus molecular hydrogen as a possible pathway to metallic hydrogen

  2010cited by this paper
• Ground-state structures of atomic metallic hydrogen.

  2010cited by this paper
• High-pressure crystal structures and superconductivity of Stannane (SnH4)

  2010cited by this paper
• New phases of water ice predicted at megabar pressures.

  2010cited by this paper
• General trend for pressurized superconducting hydrogen-dense materials

  2010cited by this paper
• High pressure chemistry in the H2-SiH4 system

  2009cited by this paper
• Superconducting state in a gallium-doped germanium layer at low temperatures.

  2009cited by this paper
• Single-crystal structural characterization of the metallic phase of oxygen.

  2009cited by this paper
• Formation of transition metal hydrides at high pressures

  2009cited by this paper
• ABINIT: First-principles approach to material and nanosystem properties

  2009cited by this paper
• Fully ab initio finite-size corrections for charged-defect supercell calculations.

  2009cited by this paper
• Superconductivity in heavily boron-doped silicon carbide

  2008cited by this paper
• Emergent reduction of electronic state dimensionality in dense ordered Li-Be alloys

  2008cited by this paper
• Ab initio description of high-temperature superconductivity in dense molecular hydrogen.

  2008cited by this paper
• Superconductivity in carrier-doped silicon carbide

  2008cited by this paper
• Pressure-induced metallization of silane

  2008cited by this paper
• Superconductivity in Hydrogen Dominant Materials: Silane

  2008cited by this paper
• Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory

  2008cited by this paper
• Structure of the metallic ζ-phase of oxygen and isosymmetric nature of the ε-ζ phase transition : Ab initio simulations

  2007cited by this paper
• Structure of phase III of solid hydrogen

  2007cited by this paper
• Novel superconductivity in metallic SnH(4) under high pressure.

  2007cited by this paper
• The Preparation and Structures of Hydrogen Ordered Phases of Ice

  2006cited by this paper
• Superconductivity in doped cubic silicon

  2006cited by this paper
• Dynamic ionization of water under extreme conditions.

  2005cited by this paper
• Hydrogen dominant metallic alloys: high temperature superconductors?

  2004cited by this paper
• Amorphous water.

  2004cited by this paper
• Superconductivity in diamond

  2004cited by this paper
• Optical studies of solid hydrogen to 320 GPa and evidence for black hydrogen

  2002cited by this paper
• A second distinct structural “state” of high-density amorphous ice at 77 K and 1 bar

  2001cited by this paper
• Raman Spectroscopy of Dense H2O and the Transition to Symmetric Hydrogen Bonds

  1999cited by this paper
• The Structure of Ice

  1999cited by this paper
• Painting a picture of development

  1999cited by this paper
• The existence of supercooled liquid water at 150 K

  1999cited by this paper
• The role of quantum effects and ionic defects in high-density ice

  1999cited by this paper
• Tunnelling and zero-point motion in high-pressure ice

  1998cited by this paper
• High Temperature Superconductivity in Metallic Hydrogen:Electron-Electron Enhancements

  1997cited by this paper
• Compression of Ice to 210 Gigapascals: Infrared Evidence for a Symmetric Hydrogen-Bonded Phase

  1996cited by this paper
• Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

  1996cited by this paper
• Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

  1996cited by this paper
• Generalized Gradient Approximation Made Simple.

  1996cited by this paper
• Variation of interatomic distances in ice VIII to 10 GPa.

  1994cited by this paper
• Pressure effects on the hydrogen bond in ice up to 80 GPa

  1994cited by this paper
• Reversible first‐order transition between two H2O amorphs at ∼0.2 GPa and ∼135 K

  1994cited by this paper
• Novel H2-H2O clathrates at high pressures.

  1993cited by this paper
• Neutron diffraction studies of ices III and IX on under‐pressure and recovered samples

  1993cited by this paper
• Stability domain of the ice VIII proton‐ordered phase at very high pressure and low temperature

  1993cited by this paper
• Properties of boson-exchange superconductors

  1990cited by this paper
• A Simple Measure of Electron Localization in Atomic and Molecular-Systems

  1990cited by this paper
• Density-functional approach to nonlinear-response coefficients of solids.

  1989cited by this paper
• Green's-function approach to linear response in solids.

  1987cited by this paper

• Hydrogen bond conversion and near room temperature superconductivity in oxygen hydrides

  2024cites this paper
• Metal borohydrides as ambient-pressure high- <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>T</mml:mi><mml:mi>c</mml:mi></mml:msub></mml:math> superconductors

  2023cites this paper
• Optimal alloying in hydrides: Reaching room-temperature superconductivity in LaH10

  2022cites this paper
• Metal Borohydrides as high-$T_{c}$ ambient pressure superconductors

  2022cites this paper
• Quantum Symmetrization of Hydrogen Bonds in Ice

  2021cites this paper
• Origin of strange normal-state and superconductivity in sulfur hydrides at high pressures

  2021cites this paper
• Superconducting ternary hydrides under high pressure

  2021cites this paper
• Immiscibility in N2-H2O solids up to 140 GPa.

  2021cites this paper
• The Mechanical Properties of CO2‐II with Particular Emphasis on Its Auxetic Potential

  2020cites this paper
• Superconductivity of hydrogen superoxide under high pressure

  2020cites this paper
• Formation and superconducting properties of predicted ternary hydride ScYH 6 under pressures

  2020cites this paper
• Water, The Cradle of Life via its Coherent Quantum Frequencies

  2020cites this paper
• Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure.

  2019cites this paper
• Exploring high temperature superconductivity mechanism from the conductivity equation obtained with the rate process theory and free volume concept

  2019cites this paper
• A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

  2019cites this paper
• Understanding Novel Superconductors with Ab Initio Calculations

  2019cites this paper
• Diamagnetic expulsion as a possible cause of the origin and stability of saturn's rings

  2018cites this paper
• Computational Discovery of Energetic Polynitrogen Compounds at High Pressure

  2018influential citation
• Conventional/unconventional superconductivity in high-pressure hydrides and beyond: insights from theory and perspectives

  2018cites this paper
• Possible Superconductivity in the Brain

  2018cites this paper
• Near-infrared optical investigations of snow, ice, and water layers on diffuse reflecting surfaces.

  2018cites this paper
• Superconductivity in doped polyethylene at high pressure

  2018cites this paper
• Absence of superconductivity in iron polyhydrides at high pressures

  2018cites this paper
• Ab initio modeling of dense water ices at extreme conditions of pressure and temperature

  2017cites this paper
• Conventional/unconventional superconductivity in high-pressure hydrides and beyond: insights from theory and perspectives

  2017cites this paper