15 Result(s)
within
Chris J. Pickard
Science, Humanities and Social Sciences, multidisciplinary
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Article
Open AccessMicroscopic theory of colour in lutetium hydride
Nitrogen-doped lutetium hydride has recently been proposed as a near-ambient-conditions superconductor. Interestingly, the sample transforms from blue to pink to red as a function of pressure, but only the pin...
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Article
Open AccessSearch for ambient superconductivity in the Lu-N-H system
Motivated by the recent report of room-temperature superconductivity at near-ambient pressure in N-doped lutetium hydride, we performed a comprehensive, detailed study of the phase diagram of the Lu–N–H system...
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Open AccessQuantum structural fluxion in superconducting lanthanum polyhydride
The discovery of 250-kelvin superconducting lanthanum polyhydride under high pressure marked a significant advance toward the realization of a room‐temperature superconductor. X-ray diffraction (XRD) studies r...
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Open AccessMagnesium oxide-water compounds at megabar pressure and implications on planetary interiors
Magnesium Oxide (MgO) and water (H2O) are abundant in the interior of planets. Their properties, and in particular their interaction, significantly affect the planet interior structure and thermal evolution. Here...
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Open AccessRevealing carbon capture chemistry with 17-oxygen NMR spectroscopy
Carbon dioxide capture is essential to achieve net-zero emissions. A hurdle to the design of improved capture materials is the lack of adequate tools to characterise how CO2 adsorbs. Solid-state nuclear magnetic ...
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The first-principles phase diagram of monolayer nanoconfined water
Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be substantially different from those of bulk wa...
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Reply to: On the liquid–liquid phase transition of dense hydrogen
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Evidence for supercritical behaviour of high-pressure liquid hydrogen
Hydrogen, the simplest and most abundant element in the Universe, develops a remarkably complex behaviour upon compression1. Since Wigner predicted the dissociation and metallization of solid hydrogen at megabar ...
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Open AccessPolyhydride CeH9 with an atomic-like hydrogen clathrate structure
Compression of hydrogen-rich hydrides has been proposed as an alternative way to attain the atomic metallic hydrogen state or high-temperature superconductors. However, it remains a challenge to get access to ...
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Open AccessMap** uncharted territory in ice from zeolite networks to ice structures
Ice is one of the most extensively studied condensed matter systems. Yet, both experimentally and theoretically several new phases have been discovered over the last years. Here we report a large-scale density...
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Open AccessSynthesis of sodium polyhydrides at high pressures
The only known compound of sodium and hydrogen is archetypal ionic NaH. Application of high pressure is known to promote states with higher atomic coordination, but extensive searches for polyhydrides with unu...
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Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
Ab initio calculations are used to determine the contribution of quantum fluctuations to the crystal structure of the high-pressure superconducting phase of H3S and D3S; the quantum nature of the proton is found ...
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Open AccessQuantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen at high pressure, because hydr...
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Piling on the pressure
The machine that houses the world's largest laser, and which stands in for the starship Enterprise's warp core in the film Star Trek Into Darkness, has compressed diamond to the density of lead. See Letter ...
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Open AccessQuantum simulation of low-temperature metallic liquid hydrogen
The melting temperature of solid hydrogen drops with pressure above ~65 GPa, suggesting that a liquid state might exist at low temperatures. It has also been suggested that this low-temperature liquid state mi...
