First-Principles Study of Confinement Effects on the Raman Spectra of Si Nanocrystals

2010 ◽  
Vol 105 (11) ◽  
Author(s):  
K. H. Khoo ◽  
A. T. Zayak ◽  
H. Kwak ◽  
James R. Chelikowsky
Keyword(s):  
Raman Spectra ◽  
First Principles ◽  
Confinement Effects ◽  
First Principles Study ◽  
Si Nanocrystals

First-principles Study of Perovskite Ultrathin Films: Stability and Confinement Effects

2016 ◽  
Vol 57 (6) ◽  
pp. 509-521 ◽  
Author(s):  
Marco Arrigoni ◽  
Eugene A. Kotomin ◽  
Joachim Maier
Keyword(s):  
Ultrathin Films ◽  
First Principles ◽  
Confinement Effects ◽  
First Principles Study

First principles study of confinement effects for oxygen vacancies in BaZrO3 (001) ultra-thin films

2016 ◽  
Vol 18 (15) ◽  
pp. 9902-9908 ◽  
Author(s):  
Marco Arrigoni ◽  
Tor S. Bjørheim ◽  
Eugene Kotomin ◽  
Joachim Maier
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
First Principles ◽  
Oxygen Vacancies ◽  
Confinement Effects ◽  
First Principles Study ◽  
Atomic And Electronic Structure ◽  
Phonon Properties

In this contribution, we study possible confinement effects on the atomic and electronic structure, and phonon properties of neutral and fully charged oxygen vacancies in BaZrO3 (001) ultra-thin films.

Sign in / Sign up

Export Citation Format

Share Document