First-Principles Study of Magnetic Interactions between Transition Metal Ions in ZnO
作者： Eun-Cheol Lee
DOI: 10.4313/JKEM.2010.23.6.444
关键词: Condensed matter physics 、 Magnetic semiconductor 、 Doping 、 Electron 、 Magnetic moment 、 Ion 、 Materials science 、 Ferromagnetism 、 Impurity 、 Transition metal ions
摘要: College of Bio-Nano Technology, Kyungwon University, Gyeonggi 461-701, Korea(Received May 10, 2010; Revised 18, Accepted 23, 2010)Abstract: Based on first-principles calculations, we study the magnetic properties Co, Ni, Fe, V, and Mn impurities in ZnO. The stabilities ferromagnetic state moment each impurity largely depend amount doped electron or hole. For lightly n-type ZnO, it is found that doping Ni ions most effective for inducing ferromagnetism, while Fe show stable couplings heavily samples. characteristics interactions Co are similar with those ions, but require much larger than to couplings. coupling between V unstable conditions.Keywords: Diluted semiconductor, Transition metal ion
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