First-Principles Vibrational Electron Energy Loss Spectroscopy of ß-Guanine.
Phys Rev Lett
; 119(2): 027402, 2017 Jul 14.
Article
em En
| MEDLINE
| ID: mdl-28753326
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 ß-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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MEDLINE
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En
Ano de publicação:
2017
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Article