A charge-passivated codoping approach for enhancing ferromagnetism and electron transport on rutile TiO(2)(110) surface

作者：Liu Qinghua; He Jingfu; Mai Cong; Yao Tao; Pan Zhiyun; Sun Zhihu; Yan Wensheng; Wu Ziyu; Wei Shiqiang^*

来源：Applied Physics Letters, 2009, 95(5): 052508.

DOI：10.1063/1.3194300

• ab initio calculations
• antiferromagnetic materials
• band structure
• doping
• ferromagnetic materials
• iron
• semimagnetic semiconductors
• superexchange interactions
• titanium compounds
• vacancies (crystal)

We performed a first-principles study on the magnetism and electronic character of rutile Fe:TiO(2)(110) mediated by oxygen vacancies (OVs) and codopant. The results show the magnetic interaction between Fe ions is a ferromagnetic (FM) superexchange nature, while the presence of OV makes it turn to an antiferromagnetic behavior. It is found when the system is codoped with oppositely charged P, the interactions are rehabilitated to FM coupling. The electronic structure analysis reveals that this is principally attributed to the sp-d hybridizations between P and Fe, which finally activate a long-ranged FM interaction between the Fe ions, and substantially facilitate the electron transport.

• 出版日期2009-8-3
• 单位中国科学技术大学