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La1-xCaxMnO3 perovskites show semiconducting properties in the paramagnetic range. The gap is reduced near x = 0.33, where ferromagnetic ordering is observed. The ferromagnetic ordering then induces a semiconductor-metal transition, and gives rise to a giant magnetoresistance effect. The ground state electronic structure calculations were done with KKR-CPA method for hypothetical cubic anti ferromagnetic LaMnO3 and CaMnO3 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 moment per formula 4.00 mu(B) and 3.00 mu(B) and half-metallic behaviour for end-compounds, respectively. In the ferromagnetic region a linear decrease in the magnetic moment of La1-xCaxMnO3 is observed, together with the decrease in the gap width for spin-down carriers, if doping Ca in La1-xCaxMnO3. A simple model is developed, which describes magnetic and transport properties as resulting from an exchange-induced band-crossing semiconductor-metal transition, as for instance in EuO.

Effect of Alloying with Ca in LaMnO3System Studied by KKR-CPA Method and Giant Magnetoresistance

Effect of Alloying with Ca in LaMnO₃System Studied by KKR-CPA Method and Giant Magnetoresistance