2009
DOI: 10.1063/1.3062822
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Ferromagnetism in pure wurtzite zinc oxide

Abstract: The ferromagnetism induced by the intrinsic point defects in wurtzite zinc oxide is studied by using ab initio calculation based on density functional theory. The calculations show that both oxygen interstitial and zinc vacancy may induce ferromagnetism into this material. The calculations also show that zinc oxide with oxygen interstitial may be a ferromagnetic semiconductor. Based on the simplified electronic configuration of the defect molecules, we explain the total magnetic moment, electronic structure, a… Show more

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Cited by 90 publications
(39 citation statements)
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“…[1][2][3][4][5][6][7][8][9][10][11] The reported variations in the results and conclusions are quite controversial; however, it seems the magnetism observed in oxide nanoparticles may be affected by particle size, grain boundary area, defects, surfactant coating and/or doping. 9,10,[12][13][14][15] Upon revisiting samples which had been previously prepared, we noted that the estimated crystallite size had increased after several years. Prompted by our previous observation of an inverse relationship between particle size and magnetization 15 , we re-measured the magnetic properties of a number of aged samples and found many variable results.…”
Section: Introductionmentioning
confidence: 99%
“…[1][2][3][4][5][6][7][8][9][10][11] The reported variations in the results and conclusions are quite controversial; however, it seems the magnetism observed in oxide nanoparticles may be affected by particle size, grain boundary area, defects, surfactant coating and/or doping. 9,10,[12][13][14][15] Upon revisiting samples which had been previously prepared, we noted that the estimated crystallite size had increased after several years. Prompted by our previous observation of an inverse relationship between particle size and magnetization 15 , we re-measured the magnetic properties of a number of aged samples and found many variable results.…”
Section: Introductionmentioning
confidence: 99%
“…Theoretically, stability of high spin configurations was first analyzed for V Si in SiC [15][16][17][18]. Subsequent first principles calculations predicted stability of high spin state of neutral V cation in CaO [7,9], HfO 2 [9,19,20], III-V nitrides [21][22][23][24][25], MgO [24,26], ZnO [22,25,27,28] and in II-VI compounds [29]. In this paper we study high spin states of V cation by firstprinciples calculations [30,31].…”
Section: Introductionmentioning
confidence: 99%
“…It challenges the mJ paradigm for magnetism, where m refers the local moment and J stands for the interaction between the local moments. Experimentally, defect-induced ferromagnetism was observed in many materials, including graphite [2][3][4][5] and various oxides [6][7][8][9][10][11][12]. SiC single crystals are emerging as another candidate for this investigation and have been shown to be ferromagnetic after particle irradiation [13,14] or after aluminum doping [15].…”
Section: Introductionmentioning
confidence: 99%