scholarly journals Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations

2019 ◽  
Author(s):  
Gabriela Herrero-Saboya ◽  
Layla Martin-Samos ◽  
Anne Hemeryck ◽  
Denis Rideau ◽  
Nicolas Richard
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
Crystalline Silicon ◽  
Electronic And Structural Properties

A First-Principles Study of the Electronic and Structural Properties of γ-TaON.

ChemInform ◽  
2007 ◽  
Vol 38 (27) ◽  
Author(s):  
Holger Wolff ◽  
Thomas Bredow ◽  
Martin Lerch ◽  
Heikko Schilling ◽  
Elisabeth Irran ◽  
...  
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
First Principles Study ◽  
Electronic And Structural Properties

A First-Principles Study of the Electronic and Structural Properties of γ-TaON

2007 ◽  
Vol 111 (14) ◽  
pp. 2745-2749 ◽  
Author(s):  
Holger Wolff ◽  
Thomas Bredow ◽  
Martin Lerch ◽  
Heikko Schilling ◽  
Elisabeth Irran ◽  
...  
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
First Principles Study ◽  
Electronic And Structural Properties

Thermodynamic, electronic and structural properties of Cu/CeO2 surfaces and interfaces from first-principles DFT+U calculations

2010 ◽  
Vol 133 (23) ◽  
pp. 234705 ◽  
Author(s):  
Lucie Szabová ◽  
Matteo Farnesi Camellone ◽  
Min Huang ◽  
Vladimír Matolín ◽  
Stefano Fabris
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
Surfaces And Interfaces ◽  
Electronic And Structural Properties

First-principles study of the electronic and structural properties of (CdTe)n/(ZnTe)n superlattices

2014 ◽  
Vol 75 ◽  
pp. 818-830 ◽  
Author(s):  
M. Boucharef ◽  
S. Benalia ◽  
D. Rached ◽  
M. Merabet ◽  
L. Djoudi ◽  
...  
Keyword(s):  
Structural Properties ◽  
First Principles ◽  
First Principles Study ◽  
Electronic And Structural Properties

Electronic and structural properties of the amorphous/crystalline silicon interface

2009 ◽  
Vol 517 (23) ◽  
pp. 6386-6391 ◽  
Author(s):  
J.P. Kleider ◽  
R. Chouffot ◽  
A.S. Gudovskikh ◽  
P. Roca i Cabarrocas ◽  
M. Labrune ◽  
...  
Keyword(s):  
Structural Properties ◽  
Crystalline Silicon ◽  
Silicon Interface ◽  
Electronic And Structural Properties
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