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19992025
most citedFirst-Principles Elastic Constants for the hcp Transition Metals Fe, Co, and Re at High Pressure

417 citations · 821 across the 14 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2021★ 15 cited

Absence of proton tunneling during the hydrogen bond symmetrization in -AlOOH

Florian Trybel, Thomas Meier, Biao Wang +1

-AlOOH is of significant crystallochemical interest due to a subtle structural transition near 10 GPa from a to a structure, the nature and origin of hydrogen di…

cond-mat.mtrl-sci2021★ 17 cited

Proton dynamics in high-pressure ice-VII from density functional theory

Florian Trybel, Michael Cosacchi, Thomas Meier +2

Using a density-functional-theory-based approach, we explore the symmetrization and proton dynamics in ice-VII, for which recent high-pressure NMR experiments indicate significant…

cond-mat.mtrl-sci2020★ 23 cited

Metallic Hydrogen Sublattice and Proton Mobility in Copper Hydride at High Pressure

Thomas Meier, Florian Trybel, Giacomo Criniti +9

Atomic and electronic structures of Cu2H and CuH have been investigated by high pressure NMR spectroscopy, X-ray diffraction and ab-initio calculations. Metallic Cu2H was synthesiz…

cond-mat.mtrl-sci2019★ 20 cited

Pressure induced Hydrogen-Hydrogen interaction in metallic FeH revealed by NMR

Thomas Meier, Florian Trybel, Saiana Khandarkhaeva +8

Knowledge of the behavior of hydrogen in metal hydrides is the key for understanding their electronic properties. So far, no experimental methods exist to access these properties b…

cond-mat.mtrl-sci2018★ 26 cited

Saturation and negative temperature coefficient of electrical resistivity in liquid iron-sulfur alloys at high densities from first principles calculations

Fabian Wagle, Nico de Koker, Gerd Steinle-Neumann

We report results on electronic transport properties of liquid Fe-S alloys at conditions of planetary cores, computed by first-principle techniques in the Kubo-Greenwood formalism.…

cond-mat.mtrl-sci2004★ 35 cited

Comment on "On the importance of the free energy for elasticity under pressure"

Gerd Steinle-Neumann, R. E. Cohen

Marcus et al. (Marcus P, Ma H and Qiu S L 2002 J. Phys.: Condens. Matter 14 L525) claim that thermodynamic properties of materials under pressure must be computed using the Gibbs f…