• Journal of Infrared and Millimeter Waves
  • Vol. 37, Issue 2, 129 (2018)
HUANG Wen-Chao1、*, WANG Xiao-Fang1, CHEN Xiao-Shuang1, LU Wei1, and FONG Ching-Yao2
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
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    DOI: 10.11972/j.issn.1001-9014.2018.02.001 Cite this Article
    HUANG Wen-Chao, WANG Xiao-Fang, CHEN Xiao-Shuang, LU Wei, FONG Ching-Yao. Understanding ferromagnetism in Carbon-doped rutile TiO2: first-principles calculations[J]. Journal of Infrared and Millimeter Waves, 2018, 37(2): 129 Copy Citation Text show less

    Abstract

    First-principles calculations based on density functional theory have been performed on the nonmagnetic 2p light element carbon-doped rutile TiO2, which is very appealing for spintronics and infranics. The results show that carbon dopants tend to couple ferromagnetically around the Ti atom in the rutile structure, and the magnetic moment per C is about 1.3 μB. The ferromagnetism is predicted to be the collective effects from a p-d exchange hybridization and a p-d exchange-like p-p coupling interaction, between the impurity (p-like t2g) and valence (p) states.
    HUANG Wen-Chao, WANG Xiao-Fang, CHEN Xiao-Shuang, LU Wei, FONG Ching-Yao. Understanding ferromagnetism in Carbon-doped rutile TiO2: first-principles calculations[J]. Journal of Infrared and Millimeter Waves, 2018, 37(2): 129
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