8 Result(s)
within
Chris J. Pickard
Theoretical, Mathematical and Computational Physics
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Article
Open AccessOn the dynamical stability of copper-doped lead apatite
The recent claim of room temperature superconductivity in a copper-doped lead apatite compound, called LK-99, has sparked remarkable interest and controversy. Subsequent experiments have largely failed to repr...
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Phase behaviours of superionic water at planetary conditions
Most water in the Universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning an...
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Open AccessFrom Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
Using spin-assisted ab initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particula...
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Open AccessStudy of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction
Double perovskite oxides, with generalized formula A2BB \(^{\prime}\) ...
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Multiple superionic states in helium–water compounds
Superionic states are phases of matter that can simultaneously exhibit some of the properties of a liquid and of a solid. For example, in superionic ice, hydrogen atoms can move freely while oxygen atoms are f...
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Article
Open AccessRevealing and exploiting hierarchical material structure through complex atomic networks
One of the great challenges of modern science is to faithfully model, and understand, matter at a wide range of scales. Starting with atoms, the vastness of the space of possible configurations poses a formida...
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Article
Structure of phase III of solid hydrogen
Hydrogen, being the first element in the periodic table, has the simplest electronic structure of any atom, and the hydrogen molecule contains the simplest covalent chemical bond. Nevertheless, the phase diagr...
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Article
The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds
Although not an intrinsic superconductor, graphite exhibits superconductivity when intercalated with certain dopants1. Perhaps the most studied of these graphite-based superconductors are the alkali metal–graphit...
