Sm. Dunaevskii, Influence of the degenerate d level and of the Jahn-Teller effect on the manganite electronic structure calculated in the tight-binding approximation, PHYS SOL ST, 43(12), 2001, pp. 2257-2261
E(k) dispersion curves for the charge carriers in the LaMnO3-like perovskit
es were calculated for the basic types of canted antiferromagnetic ordering
of the Mn sublattice in the framework of the tight-binding approximation.
The E(k) spectrum of the antiferromagnetic structures was calculated for th
e first time taking into account the degeneracy of the Mn e(g) level and th
e Jahn-Teller distortion of the cubic perovskite structure. This calculatio
n involved diagonalization of the 8 x 8 Hamiltonian matrix. Analytical expr
essions for the E(k) function at separate points and symmetry lines of the
Brillouin zone were derived. The calculations showed that the properties of
the La1- xCaxMnO3 system do not have electron-hole symmetry. (C) 2001 MAIK
"Nauka/Interperiodica".