1.8k citations · 10.4k across the 110 of their papers we have counts for
10 papers · 1 filter
On stable H-C-N-O compounds at high pressure
Lewis J. Conway, Chris J. Pickard, Andreas Hermann
The make-up of the outer planets, and many of their moons, are dominated by matter from the H-C-N-O chemical space, commonly assumed to originate from mixtures of hydrogen and the…
Superionic State Discovered in Ternary Hypervalent Silicon Hydrides via Sodium inside the Earth
Tianxiao Liang, Zihan Zhang, Hongyu Yu +3
Superionic states are phases of matters that can simultaneously exhibit some of the properties of a fluid and of a solid. Superionic states of ice, HO, He-HO or He-NH$_…
High Tc superconductivity in heavy Rare Earth Hydrides: correlation between the presence of the f states on the Fermi surface, nesting and the value of Tc
Hao Song, Zihan Zhang, Tian Cui2 +3
Lanthanum hydrides, containing hydrogen framework structures under compression, display a superconducting state with a high observed critical temperature. However, this phenomenon…
Ternary Hypervalent Silicon Hydrides via Lithium at High Pressure
Tianxiao Liang, Zihan Zhang, Xiaolei Feng +4
Hydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on tern…
Structure-specific, mode-resolved phonon coherence and specularity at graphene grain boundaries
Zhun-Yong Ong, Georg Schusteritsch, Chris J. Pickard
In spite of their importance for understanding phonon transport phenomena in thin films and polycrystalline solids, the effects of boundary roughness scattering on phonon speculari…
Speed of sound from fundamental physical constants
K. Trachenko, B. Monserrat, C. J. Pickard +1
Two dimensionless fundamental physical constants, the fine structure constant and the proton-to-electron mass ratio are attributed a particular importance fro…