Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon

The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range...

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Bibliographic Details
Published in:Physics of the solid state 2018-04, Vol.60 (4), p.804-808
Main Authors: Komolov, A. S., Lazneva, E. F., Gerasimova, N. B., Panina, Yu. A., Baramygin, A. V., Zashikhin, G. D., Pshenichnyuk, S. A.
Format: Article
Language:English
Subjects:
ANHYDRIDES
Comparative analysis
COMPARATIVE EVALUATIONS
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Conduction bands
DENSITY
DENSITY FUNCTIONAL METHOD
Density functional theory
DENSITY OF STATES
Dianhydrides
Electron states
ELECTRONIC STRUCTURE
ELECTRONS
FERMI LEVEL
Mathematical analysis
MOLECULES
Organic chemistry
Physics
Physics and Astronomy
Polymers
SILICON
Solid State Physics
SPATIAL DISTRIBUTION
SPECTROSCOPY
SURFACES
THIN FILMS
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Summary:The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1–2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the .
ISSN:1063-7834
1090-6460
DOI:10.1134/S1063783418040169