J. Tobola et al., EFFECT OF ALLOYING WITH CA IN LAMNO3 SYSTEM STUDIED BY KKR-CPA METHODAND GIANT MAGNETORESISTANCE, Acta Physica Polonica. A, 92(2), 1997, pp. 461-464
La1-xCaxMnO3 perovskites show semiconducting properties in the paramag
netic range. The gap is reduced near x = 0.33, where ferromagnetic ord
ering is observed. The ferromagnetic ordering then induces a semicondu
ctor-metal transition, and gives rise to a giant magnetoresistance eff
ect. The ground state electronic structure calculations were done with
KKR-CPA method for hypothetical cubic anti ferromagnetic LaMnO3 and C
aMnO3 compounds, as well as for disordered La1-xCaxMnO3 (x = 0.33, 0.4
, 0.5) alloys with real crystal data. As a result, we get a magnetic m
oment per formula 4.00 mu(B) and 3.00 mu(B) and half-metallic behaviou
r for end-compounds, respectively. In the ferromagnetic region a linea
r decrease in the magnetic moment of La1-xCaxMnO3 is observed, togethe
r with the decrease in the gap width for spin-down carriers, if doping
Ca in La1-xCaxMnO3. A simple model is developed, which describes magn
etic and transport properties as resulting from an exchange-induced ba
nd-crossing semiconductor-metal transition, as for instance in EuO.