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固相反应法制备的COxZn1-xO磁性能的研究
Magnetic properties of CoxZn1-xO by solid-state reaction
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摘要: 采用固相反应烧结法制备了Co掺杂ZnO的粉末和压片样品.XRD衍射表明样品中CO2＋离子取代Zn2＋离予进入了ZnO晶格中.在室温下样品均表现为顺磁性,利用密度泛函理论（DFT＋U）方法计算得到的Co_2Zn_（14）O_（16）体系反铁磁基态更稳定,并通过Co,O原子电子迁移变化,表明了CoZnO体系中磁性机理更倾向于Co~（2＋）—O~（2-）—Co~（2＋）成键的间接交换作用模型.改进了安德森模型中的直接交换积分J_（pd）公式.提出两个可能的途径来实现具有本征铁磁性氧化物半导体.Abstract: Co doped ZnO powders and tablets are synthesized by the solid-state reaction.The X-ray diffraction experimental results indicate that Zn2＋ ions are substituted by Co2＋ ions.All samples are paramagnetic at room temperature.Using density functional theory （DFT＋U） method,the calculated results indicate that the antiferromagnetic ground state of Co2Zn14O16 system is more stable.By calculating the electronic transfers of Co and O atoms,it is indicated that the mechanism of the magnetism tends to the indirect exchange model of Co2＋-O2-Co2＋ bonding in CoZnO system.The direct exchange formula Jpd of Anderson model is modified.Two possible ways to achieve the intrinsic ferromagnetic oxide semiconductor are putted forward.
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