Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films

2001 ◽  
Vol 400 (1-2) ◽  
pp. 76-80 ◽  
Author(s):  
E.A. Kotomin ◽  
R.I. Eglitis ◽  
J. Maier ◽  
E. Heifets
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Atomic And Electronic Structure

Atomic and electronic structure of thin films of Mn on Pd{111}

1992 ◽  
Vol 45 (7) ◽  
pp. 3749-3754 ◽  
Author(s):  
D. Tian ◽  
H. Li ◽  
S. C. Wu ◽  
F. Jona ◽  
P. M. Marcus
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Atomic And Electronic Structure

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.

scholarly journals Theoretical Investigation of the Prospect to Tailor ZnO Electronic Properties with VP Thin Films

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1412
Author(s):  
Anastasiia S. Kholtobina ◽  
Evgenia A. Kovaleva ◽  
Julia Melchakova ◽  
Sergey G. Ovchinnikov ◽  
Alexander A. Kuzubov
Keyword(s):  
Thin Films ◽  
Zinc Oxide ◽  
Electronic Structure ◽  
Quantum Chemistry ◽  
Density Distribution ◽  
Electronic Properties ◽  
Spin Density ◽  
Atomic Layer ◽  
Oxide Substrate ◽  
Atomic And Electronic Structure

The atomic and electronic structure of vanadium phosphide one- to four-atomic-layer thin films and their composites with zinc oxide substrate are modelled by means of quantum chemistry. Favorable vanadium phosphide to ZnO orientation is defined and found to remain the same for all the structures under consideration. The electronic structure of the composites is analyzed in detail. The features of the charge and spin density distribution are discussed.

scholarly journals Nonstoichiometric Twin Defects in Fe 3 O 4 (111) Thin Films: Atomic and Electronic Structure

2016 ◽  
Vol 22 (S3) ◽  
pp. 1698-1699 ◽  
Author(s):  
D. Kepaptsoglou ◽  
D. Gilks ◽  
K. Mckeena ◽  
Z. Nedelkoski ◽  
B. Keurbanjiang ◽  
...  
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Twin Defects ◽  
Atomic And Electronic Structure

Room temperature observation of the correlation between atomic and electronic structure of graphene on Cu(110)

RSC Advances ◽  
2016 ◽  
Vol 6 (100) ◽  
pp. 98001-98009 ◽  
Author(s):  
Thais Chagas ◽  
Thiago H. R. Cunha ◽  
Matheus J. S. Matos ◽  
Diogo D. dos Reis ◽  
Karolline A. S. Araujo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Vapor Deposition ◽  
Scanning Tunneling Microscopy ◽  
Vapor Deposition ◽  
Room Temperature ◽  
Chemical Vapor ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Temperature Observation ◽  
Atomic And Electronic Structure

We have used atomically-resolved scanning tunneling microscopy and spectroscopy to study the interplay between the atomic and electronic structure of graphene formed on copper via chemical vapor deposition.

Atomic and electronic structure of amorphous Al–Zr alloy films

2011 ◽  
Vol 23 (26) ◽  
pp. 265503 ◽  
Author(s):  
J Vegelius ◽  
I L Soroka ◽  
P T Korelis ◽  
B Hjörvarsson ◽  
S M Butorin
Keyword(s):  
Electronic Structure ◽  
Alloy Films ◽  
Atomic And Electronic Structure ◽  
Zr Alloy
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