DOIONLINE 
DOIONLINE Publish In |
International Journal of Advances in Electronics and Computer Science-IJAECS |
 Journal Home Volume Issue |
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Issue |
Volume-2, Issue-7 ( Jul, 2015 ) | |||||||||
Paper Title |
Theoretical Investigation Of Geometry And Electronic Properties Of C60 Molecule Placed On Si (001) And Si (111) Surfaces | |||||||||
Author Name |
Evgenia A. Kovaleva, Alexander A. Kuzubov, Anastasia S. Kholtobina, Alexander S. Fedorov, Pavel V. Avramov | |||||||||
Affilition |
Siberian Federal University, Kirensky Institute of Physics SB RAS, Krasnoyarsk Railway Institute, Kyungpook National University | |||||||||
Pages |
45-47 | |||||||||
Abstract |
Atomic and electronic structure of C60 molecules deposited on Si (001) and Si (111) surfaces were investigated within the framework of density functional theory. Different configurations of compartments mutual arrangement were considered. Then, electronic structure of the most favorable ones was analyzed. It was found that silicon surfaces change their properties significantly due to the interaction with fullerene molecule. Fullerene, in turn, loses its high symmetry which also leads to change in electronic structure. Index Terms — Buckminsterfullerene, Density Functional Theory, Silicon, Quantum Dots. | |||||||||
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