3.8 Article

First-principles materials design of CuAlO2 based dilute magnetic semiconducting oxide

Journal

Publisher

JAPAN SOC APPLIED PHYSICS
DOI: 10.1143/JJAP.44.L1187

Keywords

materials design; CuAlO2; delafossite structure; dilute magnetic semiconductor; spintronics; half-metallic density of states

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The electronic structures and the magnetic properties of dilute magnetic semiconductors (DMSs) based on transparent semiconducting oxide CuAlO2 are calculated by using the Korringa-Kohn-Rostoker method combined with the coherent potential approximation within the local density approximation. We see from the results that we can expect to obtain the half-metallic and high-spin ferromagnetic state is expected to be stable in Mn-, Fe-, Co- and Ni-doped CuAlO2.

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