2018/12/12 by Pablo García‐Risueño, Risueño, Pablo García, Dmitrii Nabok +5
Engineering · Materials Science · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Organic and Molecular Conductors Research #Perovskite Materials and Applications #Solid-state spectroscopy and crystallography
paper · pdf · doi:10.48550/arxiv.1812.04793
openalex publication_date 2018/12/12 · openalex created_date 2018/12/22 · openalex updated_date 2026/07/28
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian, resulting in a narrowing of bands as a function of temperature. Our approach enables the intuitive interpretation in terms of quasiparticles, i.e. polaron bands and dressed-phonon frequencies. Being nonperturbative, the formalism also applies in the strong-coupling case. We apply it to the organic crystal naphthalene, with the coupling strengths obtained by ab initio calculations.