Room temperature ferromagnetism in D-D neutron irradiated rutile TiO(2) single crystals.

Room temperature ferromagnetism in D-D neutron irradiated rutile TiO(2) single crystals.
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DOI:
10.1039/d0ra02220a
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发表时间:
2020-05-14
期刊:
影响因子:
3.9
通讯作者:
--
中科院分区:
化学3区
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采用浮区法制备的金红石型TiO 2单晶由于氧空位缺陷而具有室温铁磁性。D-D中子主要与TiO 2发生弹性碰撞,产生VO、钛空位(VTi)等点缺陷,缺陷的密度和种类与中子辐照注量有关。采用D-D中子辐照来调节缺陷的浓度和类型,避免杂质元素。随着辐照能量密度的增加,饱和磁化强度(Ms)先增加,然后减少,然后增加。为了验证RTFM的起源,CASTEP模块被用来计算在二氧化钛的点缺陷的磁性和结构特性。VO的磁矩为2.39 μB,Ti ~(3+)和F ~+的磁矩分别为1.28 μB和1.70 μB,而VTi的磁矩为1.44 μB。结合实验和理论结果,VO浓度的增加导致Ms增加,更多的VO联合收割机与电子结合形成F+,诱导较小的磁矩。VO和VTi起关键作用,Ms随注量增大而变化。VO、F+和VTi是RTFM最有可能的起源。采用D-D中子辐照技术对金红石型TiO_2中缺陷的浓度和类型进行调控。辐照后观察到室温铁磁性。结合实验和理论结果,我们阐明了RTFM的可能起源。
Room temperature ferromagnetism (RTFM) was observed in unirradiated rutile TiO2 single crystals prepared by the floating zone method due to oxygen vacancy (VO) defects. D–D neutrons mainly collide elastically with TiO2, producing VO, titanium vacancies (VTi) and other point defects; the density and kind of defect is related to the neutron irradiation fluence. D–D neutron irradiation is used to regulate the concentration and type of defect, avoiding impurity elements. As the irradiation fluence increases, the saturation magnetization (Ms) first increases, then decreases and then increases. To verify the origin of RTFM, the CASTEP module was used to calculate the magnetic and structural properties of point defects in TiO2. VO induces a 2.39 μB magnetic moment, Ti3+ and F+ induce 1.28 μB and 1.70 μB magnetic moments, respectively, while VTi induces a magnetic moment of ∼4 μB. Combining experimental and theoretical results, increases in VO concentration lead to Ms increases; more VO combine with electrons to form F+, inducing a smaller magnetic moment. VO and VTi play a key role and Ms changes accordingly with larger fluence. VO, F+ and VTi are the most likely origins of RTFM. D–D neutron irradiation is used to regulate the concentration and type of defect in rutile TiO2. Room temperature ferromagnetism was observed after irraidiation. Combining experimental and theoretical results, we elucidate the likely origins of RTFM.
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