187 citations · 3.1k across the 76 of their papers we have counts for
3 papers · 1 filter
Electron-Phonon Coupling and the Metalization of Solid Helium at Terapascal Pressures
Bartomeu Monserrat, N. D. Drummond, Chris J. Pickard +1
Solid He is studied in the pressure and temperature ranges 1-40 TPa and 0-10,000 K using first-principles methods. Anharmonic vibrational properties are calculated within a self-co…
Theory of temperature dependent phonon-renormalized properties
Bartomeu Monserrat, G. J. Conduit, R. J. Needs
We present a general harmonic theory for the temperature dependence of phonon-renormalized properties of solids. Firstly, we formulate a perturbation theory in phonon-phonon intera…
Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress
Bartomeu Monserrat, N. D. Drummond, R. J. Needs
A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical b…