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One‐Electron States in a Layered Crystal with Covalent Bridges
Author(s) -
Bercha D.M.,
Kharkhalis L.Yu.,
Sznajder M.
Publication year - 2002
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200202)229:3<1371::aid-pssb1371>3.0.co;2-w
Subject(s) - dopant , covalent bond , crystal (programming language) , condensed matter physics , materials science , electron , band gap , anisotropy , molecular physics , chemistry , doping , physics , optics , computer science , programming language , organic chemistry , quantum mechanics
One‐electron states in a layered crystal with chaotically placed covalent bridges have been calculated using the group decomposition of the Green's function with respect to the concentration of interacting dopants. The calculations have been based on the Fivaz's dispersion law for conduction electrons. It has been shown that a rearrangement of the conduction band takes place at a certain concentration of the covalent bridges ( c ≫ c 0 , c ≪ 1, where c 0 is the characteristic concentration larger than that of an isotropic crystal). After this rearrangement an anisotropic dopant band is formed. All parameters of this rearrangement have been found as well as the effective mass tensor components for the rearranged conduction band and for the created dopant band. It has been demonstrated that the interaction process leading to the formation of the covalent bridges can be a reason of the change of the anisotropy of the electric conductivity in a layered crystal. The density and the number of the quasi‐Bloch states have been calculated in the created energy band. The number of these states increases with the increase of the dopant concentration. The possibility of dielectric–metal transition in intercalated layered crystals was analyzed.