从实验和理论上阐述了氧空位对Co掺杂ZnO半导体磁性能的影响.采用磁控溅射法在不同的氧分压下制备了Zn0.95Co0.05O薄膜,研究了氧分压对薄膜磁性能的影响.实验结果表明,高真空条件下制备的Zn0.95Co0.05O薄膜具有室温铁磁性,提高氧分压后制备的薄膜铁磁性逐渐消失.第一性原理计算表明,在Co掺杂ZnO体系中引入氧空位有利于降低铁磁态的能量,铁磁态的稳定性与氧空位和Co之间的距离密切相关.
Zn0.95Co0.05O films were prepared under different oxygen partial pressure P by magnetron sputtering.The effect of P on the magnetic and electrical properties was investigated.The effect of oxygen vacancy on the magnetic properties was also calculated by first-principles calculation.The experimental results indicated that Zn0.95Co0.05O films showed room-temperature ferromagnetism and high electron concentration when they were deposited under high vacuum.The ferromagnetism disappeared and the electron concentration decreased sharply when P was increased.The calculated results indicated that the energy of ferromagnetic states could be decreased by introducing oxygen vacancy in Co-doped ZnO system.The stability of ferromagnetism was determined by the distance between oxygen vacancy and Co atoms.