Journal
JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS
Volume 43, Issue 7A, Pages L934-L936Publisher
JAPAN SOC APPLIED PHYSICS
DOI: 10.1143/JJAP.43.L934
Keywords
materials design; ab initio calculation; calcium oxide; p-impurity band; ferromagnetism without transition metal elements
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We propose a new class of diluted magnetic semiconductors based on CaO without transition metal elements. The electronic structure and the magnetic properties of B-, C- or N-doped CaO are calculated by using the Korringa-Kohn-Rostoker method within the local spin density approximation. The substitutional and magnetic disorder is taken into account by the coherent potential approximation. It is found that B, C and N impurities show finite local magnetic moments in CaO at the oxygen-substitutional site. Moreover, these C- and N-doped CaO show the room-temperature ferromagnetism with half-metallic density of states.
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