Effect of Intrinsic Point Defect on the Magnetic Properties of ZnO Nanowire

Abstract

The effect of intrinsic point defect on the magnetic properties of ZnO nanowire is investigated by the first-principles calculation based on the density functional theory (DFT). The calculated results reveal that the pure ZnO nanowire without intrinsic point defect is nonmagnetic and ZnO nanowire with VO, Zni, Oi, OZn, or ZnO point defect also is nonmagnetic. However, a strong spin splitting phenomenon is observed in ZnO nanowire with VZn defect sitting on the surface site. The Mulliken population analysis reveals that the oxygen atoms which are close to the VZn defect do major contribution to the magnetic moment. Partial density states calculation further suggests that the appearance of the half-metallic ferromagnetism in ZnO nanorod with VZn originates from the hybridization of the O2p states with Zn 3d states.

Electronic Properties of Transition‐Metal‐Decorated Silicene

“…[3,[12][13][14][15][16][17] In addition to the advantage of compatibility mentioned above, another superior characteristic of silicene as an electronic device compared to graphene is that silicene is a strong candidate for the quantum spin hall effect, because silicene has a larger band gap than graphene at low temperatures. [25][26][27][28][29][30][31][32][33][34] If a gap induced by these means has semiconducting or half-metallic characteristics at a range including the Fermi level (E F ), a system with this band gap can be applicable to practical areas, such as field-effect transistors (FETs), singlespin electron sources, and nonvolatile magnetic random access memory (MRAM). [20][21][22][23][24] To apply silicene with useful electronic features, especially those associated with the band gap, to nanoelectronic devices, it is necessary to examine the band-gap opening in silicene.…”

Muon Irradiation of ZnO Rods: Superparamagnetic Nature Induced by Defects

“…This is consistent with the magnetic data described later. The PL spectra show a red emission which indicates the presence of zinc vacancies [21]. Other defects emit strongly in lower wavelengths and grain boundary defects emit broad bands [22].…”

“…ZnO is typically thought to be diamagnetic (non-magnetic) based on its electron configuration; however, ZnO nanostructures have been shown to exhibit magnetic behavior, the origin of which is still an active matter of debate [5,[15][16][17][18][19][20][21]. To resolve this curiosity, computational investigations into the magnetic properties of ZnO nanostructures have been carried out in order to form a hypothesis for the origin of this mysterious magnetism [16][17][18][19][20][21][22]. Magnetism caused by defects, such as Zn vacancies and grain boundary defects, have all been shown to have computational validity.…”

Enhanced ferromagnetism of ZnO@Co/Ni hybrid core@shell nanowires grown by electrochemical deposition method

“…The observation of ferromagnetism in ZnO NWs is in agreement with several simulation studies for nanoscaled of ZnO material. 35,38,41 The intrinsic point defect in the structure of ZnO nanomaterials is considered as the responsible factor for its room temperature ferromagnetism. Therefore, it is possible to enhance the magnetic behavior of ZnO NWs, either by increasing the number of intrinsic point defects or doping/coating with other ferromagnetic materials.…”

“…Meanwhile, the intrinsic ferromagnetism of bare ZnO NWs is also an interesting feature which has been studied by several research groups recently, and is promising for many applications of nanoscaled optomagnetics, optoelectronics devices, and biotechnology. [35][36][37][38] Moreover, the synthesis of such hybrid core@shell structure still remains challenging and time-consuming. Therefore, we considered investigating the enhanced ferromagnetism of ZnO NWs by coating with nanolayers of giant positive magnetic Co and Ni materials through a facile synthetic process.…”