ESTUDIO DE LAS PROPIEDADES DE ESPÍN METALICIDAD EN COMPUESTOS TIPO A2FeMoO6, CON A=Ba, Ca.

The structural and electronic properties of A2FeMoO6 (A=Ba, Ca), are studied by using ab initio band structure methods. The total and partial densities of states are calculated for each spin polarization on the compounds. As a result, the half metallic property was found on both compounds. Besides, the partial densities of states permitted to infer the mechanism of conduction on this compounds family, based on the Sarma's model. [ABSTRACT FROM AUTHOR]