3 papers
cond-mat.mtrl-sci2025
Signatures of coherent phonon transport in frequency dependent lattice thermal conductivity
Đorđe Dangić
Thermal transport in highly anharmonic, amorphous, or alloyed materials often deviates from the predictions of conventional phonon-based models. First-principles approaches have in…
cond-mat.mtrl-sci2022
Molecular dynamics simulation of the ferroelectric phase transition in GeTe: displacive or order-disorder?
Đorđe Dangić, Stephen Fahy, Ivana Savić
Experimental investigations of the phase transition in GeTe provide contradictory conclusions regarding the nature of the phase transition. Considering growing interest in technolo…
cond-mat.mtrl-sci2020
Towards temperature-induced topological phase transition in SnTe: A first principles study
José D. Querales-Flores, Pablo Aguado-Puente, Đorđe Dangić +6
The temperature renormalization of the bulk band structure of a topological crystalline insulator, SnTe, is calculated using first principles methods. We explicitly include the eff…