Journal of Siberian Federal University. Mathematics & Physics / Theoretical Investigation of FeSi2 Nanofilms and Interface Silicon/Iron Silicide

Full text (.pdf)
Issue
Journal of Siberian Federal University. Mathematics & Physics. 2011 4 (2)
Authors
Fedorov, Alexander S.; Kuzubov, Alexander A.; Kojevnikova, Tatyana A.; Popov, Zaxar I.; Ovchinnikov, Sergey G.
Contact information
Fedorov, Alexander S. : e-mail: ; Kuzubov, Alexander A. :; Kojevnikova, Tatyana A. :; Popov, Zaxar I. :; Ovchinnikov, Sergey G. :
Keywords
surface physical chemistry; reconstruction; ab-initio calculations; silicon; silicide
Abstract

Electronic and geometric structure of -phase of crystal FeSi2 is investigated by DFT calculations at different isotropic and axial pressures. It is revealed unusial increasing of the dielectric gap under the pressures. Also it is investigated electronic and geometric structure of FeSi2 nanofilms as well as sili- con/iron silicide interface. It is defined that these nanofilms have surface reconstruction and corresponding conductivity. It is shown that contact of (001) silicon surface and corresponding surface of −FeSi2 silicide lead to narrow perfet interface having conductivity near fermi level mainly due to contribution of the silicide surface layers.

Pages
182-190
Paper at repository of SibFU
https://elib.sfu-kras.ru/handle/2311/2283