P. Schlottmann, HYBRIDIZATION MODEL FOR A PAIR OF INTERMEDIATE VALENCE MANGANESE IMPURITIES, Journal of physics. Condensed matter (Print), 10(45), 1998, pp. 10249-10261
Manganese ions in a mixed-valent state of two magnetic configurations,
Mn4+ and Mn3+, play an important role in the magnetoresistance of LaM
nO3-based systems. We describe each Mn impurity with the Mn4+ represen
ted by a spin S = 3/2 (three localized d electrons in the t(2g) orbita
ls with their spins ferromagnetically coupled) and the Mn3+ configurat
ion having an additional localized d electron in one of the e(g) orbit
als to form a total spin (S + 1/2). The e(g) electron hybridizes with
the conduction electrons and the multiple occupancy of the eg level is
excluded by a large Coulomb energy at each site. This gives rise to a
quadrupolar Kondo effect; which compensates the orbital degrees of fr
eedom into a quadrupolar singlet, and interferes with the usual spin K
ondo effect. We consider a pair of such manganese ions and allow the e
(g) electrons to hop between the two sites. Hence, bonding and antibon
ding levels are formed giving rise to the ferromagnetic double-exchang
e mechanism. We study the interaction between the impurities in the in
teger-valent and the mixed-valent regimes. In the integer-valent limit
we renormalize the interactions using the vertex function in the lead
ing logarithmic approximation. Two neighbouring impurities with the sa
me integer valence interact ferromagnetically. Mn3+ ions have in addit
ion a quadrupolar Kondo effect. In the intermediate valence regime we
calculate the ground state energy, the valence, the population differe
nce between the bonding and antibonding states, the charge susceptibil
ity, the quadrupolar susceptibility and the response to a charge imbal
ance between the two sites as a function of the energy of the e(g) lev
el in zero magnetic field and for the spin-polarized limit (ferromagne
tic lattice) using a mean-field slave-boson formulation. The results i
ndicate that the intersite hopping suppresses charge order and lattice
distortions.