Abstract

The main goal of the present project is to conduct a thorough theoretical study on the role the electron-phonon coupling in novel quasi-two-dimensional materials by using quantitative first-principles methods. The impact of the electron-phonon interaction on phonon and electron dynamics is planned to be studied under both equilibrium and nonequilibrium conditions, where energies of electron and lattice degrees of freedom are equal and mismatched, respectively. Specifically, we intend to investigate graphene-related materials, metallic and semiconductive versions of transition metal dichalcogenides, as well as some recently discovered two-dimensional materials like borophene. Each of these materials possesses unique optical properties highly desirable for applications in optoelectronic industry, which are ruled in parts by dynamical interplay between electrons and phonons. The corresponding theoretical output will be directly related to several spectroscopic techniques, like Raman, reflectivity, and photoemission measurements, as well as to their time-resolved versions, where nonequilibrium condition is achieved through ”pump-probe” methods. This renders the proposed study a potentially essential for complementing and elucidating the aforementioned experiments, but also for predicting novel physical features and thus encouraging future experimental work.

Publications

Zahra Torbatian, Mohammad Alidoosti, Dino Novko, and Reza AsgariLow-loss two-dimensional plasmon modes in antimonene
Physical Review B 101, 205412 (2020)
DOI: 10.1103/PhysRevB.101.205412 20200511