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.

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

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

scholarly journals Tuning electronic properties in LaNiO3 thin films by B-site Cu-substitution

2020 ◽  
Vol 8 (36) ◽  
pp. 12662-12668
Author(s):  
Henrik H. Sønsteby ◽  
Erik Skaar ◽  
Jon E. Bratvold ◽  
John W. Freeland ◽  
Angel Yanguas-Gil ◽  
...  
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
Electronic Properties ◽  
Room Temperature ◽  
Atomic Layer ◽  
Transition Temperatures ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
Cu Substitution ◽  
Layer Deposition

Cu-Substitution in LaNiO3 by atomic layer deposition provides films spanning six orders of magnitude in resistivity, with metal insulator transition temperatures from 0 K to room temperature.

The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-, TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregates

2017 ◽  
Vol 19 (3) ◽  
pp. 2434-2448 ◽  
Author(s):  
Daniel Bellinger ◽  
Jens Pflaum ◽  
Christoph Brüning ◽  
Volker Engel ◽  
Bernd Engels
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Properties ◽  
Td Dft ◽  
Semi Empirical ◽  
Electronic Character

The electronic structure of crystalline PTCDA in comparison to other perylene-based organic semi-conductors.

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