3 papers
cond-mat.mtrl-sci2026
Resonant Raman spectroscopies beyond density-functional theory
Aleksandr Poliukhin, Corto Babs Aubry, Lorenzo Bastonero +1
Resonant Raman spectroscopy probes, in a single measurement, how electrons and phonons couple in a material. Density-functional theory (DFT) typically reproduces well phonon freque…
cond-mat.mtrl-sci2025
First-principles screening of materials with extreme effective masses
Szymon BÅazucki, Szymon Błazucki, Junfeng Qiao +2
The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to…
cond-mat.mtrl-sci2025
Carrier mobilities and electron-phonon interactions beyond DFT
Aleksandr Poliukhin, Nicola Colonna, Francesco Libbi +2
Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interac…