Overview
The Delaire group investigates atomistic transport processes of energy and charge, and thermodynamics in energy materials. We use a combined experimental and computational approach to understand and control microscopic energy transport for the design of next-generation materials, in particular for sustainable energy applications. Current materials of interest include superionic conductors, photovoltaics, thermoelectrics, ferroelectrics/multiferroics, and metal-insulator transitions. Our group's studies provide fundamental insights into atomic dynamics and elementary excitations in condensed-matter systems (phonons, electrons, spins), their couplings and their effects on macroscopic properties. We probe the microscopic underpinnings of transport and thermodynamics properties by integrating neutron and x-ray scattering, optical spectroscopy, and thermal characterization, together with quantum-mechanical computer simulations.
Current Appointments & Affiliations
In the News
Published February 27, 2025
Published January 13, 2022
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Recent Publications
Journal Article
Journal of Applied Crystallography
·
February 1, 2026
Inelastic neutron scattering (INS) experiments utilizing modern time-of-flight spectrometers enable the comprehensive mapping of the energy (
E
)- and momentum ...
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Journal Article
Physical Review Materials
·
June 1, 2025
Metal halide perovskites (MHPs) have emerged as highly promising materials for optoelectronic applications, with all-inorganic MHPs presenting enhanced stability compared to their hybrid counterparts. Here, we investigate the atomic dynamics and structural ...
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Journal Article
Physical Review Materials
·
June 1, 2025
Bismuth exhibits a Peierls distortion away from a simple cubic structure, reflecting both an anharmonic potential energy surface and electron-phonon coupling in a semimetal. It has attracted considerable interest in studies of low-temperature thermal trans ...
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Education, Training & Certifications
California Institute of Technology ·
2006
Ph.D.
Pennsylvania State University ·
2000
M.Sc.