First-Principles Vibrational Electron Energy Loss Spectroscopy of β-Guanine

First-Principles Vibrational Electron Energy Loss Spectroscopy of β-Guanine 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review Letters American Physical Society (APS)

First-Principles Vibrational Electron Energy Loss Spectroscopy of β-Guanine

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First-Principles Vibrational Electron Energy Loss Spectroscopy of β-Guanine

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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Publisher
American Physical Society (APS)
Copyright
Copyright © © 2017 American Physical Society
ISSN
0031-9007
eISSN
1079-7114
D.O.I.
10.1103/PhysRevLett.119.027402
Publisher site
See Article on Publisher Site

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.

Journal

Physical Review LettersAmerican Physical Society (APS)

Published: Jul 14, 2017

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