Electronic structure of Co~(2+) ions in anatase Co:Tio_2 in relation to heterogeneity and structural defects

Y. J. Lee; M. P. de Jong; W. G. van der Wiel

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Electronic structure of Co~(2+) ions in anatase Co:Tio_2 in relation to heterogeneity and structural defects

机译：锐钛矿县Co〜（2+）离子的电子结构：Tio2与异质性和结构缺陷的关系

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We have studied the electronic structure of Co ions in semiconducting anatase Co:TiO_2(1.4 at.% Co) with x-ray-absorption spectroscopy. The density of structural defects is varied by (i) the oxygen vacancy concentration depending on the oxygen background pressure during growth, and (ii) the film thickness. The Co L_(2.3)-edge spectra, which are characteristic of Co~(2+) (3d~7) ions, show particularly pronounced ligand-to-metal charge-transfer (CT) satellites for the thickest oxygen-poor films, which also exhibit the highest structural defect density. With charge-transfer multiplet calculations, the CT satellites are modeled by configuration interaction, originating from hybridization between Co 3d- and ligand states. This hybridization adds to the complex interplay between Co heterogeneity, defects, and electronic and magnetic properties in Co:TiO_2.

机译：我们已经用X射线吸收光谱研究了半导体锐钛矿型Co：TiO_2（1.4 at。％Co）中Co离子的电子结构。结构缺陷的密度根据（i）生长过程中的氧本底压力和（ii）膜厚的不同而变化。 Co L_（2.3）边缘光谱是Co〜（2+）（3d〜7）离子的特征，它显示了最厚的贫氧薄膜中特别明显的配体-金属电荷转移（CT）卫星，它也表现出最高的结构缺陷密度。通过电荷转移多重峰计算，CT卫星通过构型相互作用建模，该构型相互作用源自Co 3d-和配体态之间的杂交。这种杂化增加了Co：TiO_2中Co的异质性，缺陷以及电子和磁性之间的复杂相互作用。

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《Physical review》 |2011年第13期|p.134405.1-134405.4|共4页
作者
Y. J. Lee; M. P. de Jong; W. G. van der Wiel;
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NanoElectronics Group, MESA~+ Institute for Nanotechnology, University of Twente, 7500 AE Enschede, The Netherlands;

NanoElectronics Group, MESA~+ Institute for Nanotechnology, University of Twente, 7500 AE Enschede, The Netherlands;

NanoElectronics Group, MESA~+ Institute for Nanotechnology, University of Twente, 7500 AE Enschede, The Netherlands;

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正文语种 eng
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X-ray absorption spectra; magnetic semiconductors; manganites;

机译：X射线吸收光谱;磁性半导体锰矿;

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Electronic structure of Co~(2+) ions in anatase Co:Tio_2 in relation to heterogeneity and structural defects

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