Skip to content.

TUD

search  |  internal  |  deutsch
Personal tools
TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2011.09.12-13




A Molecular Dynamics approach to compute Raman and Infrared spectra of Nanostructures

F. Zörgiebel, J. Kunstmann, D. Nozaki, G. Cuniberti

Frontiers on Functional Interfaces

2011.09.12-13; Munich, Germany

The characterization of nano-structures with spectroscopical methods is a fundamental step in the production of nanotechnological devices. We developed a symmetry based method to extract Raman active, infrared active and optically inactive (silent) phonon modes from molecular dynamics simulations. Our method is conceptually simple and applicable to structures of any dimension, like quantum-dots, nanowires, thin films and bulk material.
We apply our method to bulk silicon and to silicon nanowires. We show that thermal anharmonicity plays a major role for silicon phonons at room temperature and we show that surface stress influences the Raman peak shift of thin silicon nanowires by 10% to 20%.



abstract (pdf)

conference announcement (html)



people| research | teaching | links | internal | home

last modified: 2017.11.15 Mi
author: webadmin

contact
Prof. Dr. Gianaurelio Cuniberti
secretariat:
Ms Sylvi Katzarow
phone: +49 (0)351 463-31420
fax: +49 (0)351 463-31422
office@nano.tu-dresden.de
postal address:
Institute for Materials Science
TU Dresden
01062 Dresden, Germany
visitors and courier address:
HAL building
TU Dresden
Hallwachsstr. 3
01069 Dresden, Germany
Max Bergmann Center
TU Dresden
Budapester Str. 27
01069 Dresden, Germany