Olivier Delaire research examples

Atomic Dynamics in Energy Materials

Our group investigates microscopic processes involving atomic vibrations (phonons), electrons, and spins in the transport and thermodynamic properties of energy materials. Materials we are currently investigating include thermoelectrics, ferroelectrics/multiferroics, spin-caloritronics, and superconductors. Our approach combines first-principles computer simulations with neutron and x-ray scattering measurements, in addition to thermal and transport measurements, and optical spectroscopy. We are particularly interested in understanding effects of anharmonicity, electron-phonon coupling, and spin-phonon coupling on thermal transport, energy conversion, and phase stability.