摘要

Magnetic properties of Co-doped wide-gap semiconductor SnO2 were studied theoretically by using the PPLCAO first-principles computational scheme. Since the carrier plays an important role on magnetic properties about diluted magnetic semiconductors (DMS) materials, we discuss the origin of magnetic moments and the magnetic ordering mechanism with different carrier concentration in Co-doped SnO2 based on calculated spin density distribution. It is found that, the RKKY interaction is dominated in the magnetic coupling in Co-doped SnO2.