930 citations · 1.2k across the 7 of their papers we have counts for
7 papers
Chemical physics of superconductivity in layered yttrium carbide halides from first principles
Ryosuke Akashi, Ryotaro Arita, Chao Zhang +2
We perform a thorough first-principles study on superconductivity in yttrium carbide halide YC (=Cl, Br, I) whose maximum transition temperature () amoun…
Synthesis and electronic structure characterization of diamane
Feng Ke, Lingkong Zhang, Yabin Chen +13
Atomically thin graphite, known as graphene, has been a marvel in material science because of its exceptional properties, novel physics and promising applications. Atomically thin…
High-energy-density and superhard nitrogen-rich B-N compounds
Yinwei Li, Jian Hao, Hanyu Liu +2
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principl…
Robust Diffusive Proton Motions in Phase IV of Solid Hydrogen
Hanyu Liu, John Tse, Yanming Ma
Systematic first-principles molecular dynamics (MD) simulations with long simulation times (7-13 ps) for phase IV of solid hydrogen using different supercell sizes of 96, 288, 576,…
X-ray Raman Scattering of Water Near the Critical Point: Comparison of an Isotherm and Isochore
D. Ishikawa, Y. Q. Cai, D. M. Shaw +3
X-ray Raman spectra of liquid, sub- and super- critical water at the oxygen K-edge were measured, at densities 1.02 - 0.16 gcm^-3. Measurements were made along both an isotherm and…
Bonding, structures, and band gap closure of hydrogen at high pressures
Alexander F. Goncharov, John S. Tse, Hui Wang +4
We have studied dense hydrogen and deuterium experimentally up to 320 GPa and using ab initio molecular dynamic (MD) simulations up to 370 GPa between 250 and 300 K. Raman and opti…