M. J. Mehl

What superconducts in sulfur hydrides under pressure and why

The recent discovery of superconductivity at 190~K in highly compressed H

CubicH3Saround 200 GPa: An atomic hydrogen superconductor stabilized by sulfur

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Effects of C, Cu, and Be substitutions in superconductingMgB2

S is spectacular not only because it sets a record high critical temperature, but because it does so in a material that appears to be, and we argue here that it is, a conventional strong-coupling BCS superconductor. Intriguingly, superconductivity in the observed pressure and temperature range was predicted theoretically in a similar compound H

Interatomic Potentials for Al and Ni From Experimental Data and AB Initio Calculations

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Development of a Kohn-Sham like potential in the self-consistent atomic deformation model

S. Several important questions about this remarkable result, however, are left unanswered: (1) Does the stoichiometry of the superconducting compound differ from the nominal composition, and could it be the predicted H

Precise tight-binding description of the band structure of MgB 2

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Application of a Kohn-Sham-like formulation of the self-consistent atomic deformation model

S compound? (2) Is the physical origin of the anomalously high critical temperature related only to the high H phonon frequencies, or does strong electron-ion coupling play a role? We show that at experimentally relevant pressures H

Self-Consistent potential induced breathing model calculations for longitudinal modes in MgO

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Tight-binding Hamiltonian for LaOFeAs

S is unstable, decomposing into H

Charge transfer effects in KNbO3 and sodium

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