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Updated: Feb 25, 2026

Molecular Beam Mass Spectrometry With Tunable Vacuum Ultraviolet VUV Synchrotron Radiation
Published on: October 30, 2012
First-Principles Vibrational Electron Energy Loss Spectroscopy of β-Guanine
G Radtke1, D Taverna1, M Lazzeri1
1Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie (IMPMC) Sorbonne Universités-UPMC Univ Paris 06, UMR CNRS 7590, Muséum National d'Histoire Naturelle, IRD UMR 206, 4 Place Jussieu, F-75005 Paris, France.
Abstract:
A general approach to model vibrational electron energy loss spectra obtained using an electron beam positioned away from the specimen is presented. The energy-loss probability of the fast electron is evaluated using first-principles quantum mechanical calculations (density functional theory) of the dielectric response of the specimen. The validity of the method is assessed using recently measured anhydrous β-guanine, an important molecular solid used by animals to produce structural colors. The good agreement between theory and experiments lays the basis for a quantitative interpretation of this spectroscopy in complex systems.
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