Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids.

ABSTRACT: The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born-Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron-vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron-vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cann

SUBMITTER: Gali A 

PROVIDER: S-EPMC4844694 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature