3 papers
cond-mat.mtrl-sci2025
Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
Dipti Jasrasaria, Timothy C. Berkelbach
Type-I clathrate solids have attracted significant interest due to their ultralow thermal conductivities and subsequent promise for thermoelectric applications, yet the mechanisms…
quant-ph2024
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
Dipti Jasrasaria, Arkajit Mandal, David R. Reichman +1
In this work we investigate anharmonic vibrational polaritons formed due to strong light-matter interactions in an optical cavity between radiation modes and anharmonic vibrations…
cond-mat.mtrl-sci2024
Nonperturbative Simulation of Anharmonic Rattler Dynamics in Type-I Clathrates with Vibrational Dynamical Mean-Field Theory
Dipti Jasrasaria, Timothy C. Berkelbach
We use vibrational dynamical mean-field theory (VDMFT) to study the vibrational structure of type-I clathrate solids, specifically XGaGe, where X=Ba,Sr. These mat…