4 papers
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…
First-principles screening of materials with extreme effective masses
Szymon Błazucki, Junfeng Qiao, Aleksandr Poliukhin +1
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…
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…
A wide-range semiclassical self-consistent average atom model
A. S. Polyukhin, S. A. Dyachkov, P. R. Levashov
Discovery of material properties at extremes, which are essential for high energy density physics development, requires the most advanced experimental facilities, theories, and com…