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Co on Fe3O4(001): Towards precise control of surface properties
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2016-03-02 14:29:23 , DOI: 10.1063/1.4942662 Raquel Gargallo-Caballero 1 , Laura Martín-García 1 , Adrián Quesada 2 , Cecilia Granados-Miralles 3 , Michael Foerster 4 , Lucía Aballe 4 , Roland Bliem 5 , Gareth S. Parkinson 5 , Peter Blaha 6 , José F. Marco 1 , Juan de la Figuera 1
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2016-03-02 14:29:23 , DOI: 10.1063/1.4942662 Raquel Gargallo-Caballero 1 , Laura Martín-García 1 , Adrián Quesada 2 , Cecilia Granados-Miralles 3 , Michael Foerster 4 , Lucía Aballe 4 , Roland Bliem 5 , Gareth S. Parkinson 5 , Peter Blaha 6 , José F. Marco 1 , Juan de la Figuera 1
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A novel approach to incorporate cobalt atoms into a magnetite single crystal is demonstrated by a combination of x-ray spectro-microscopy, low-energy electron diffraction, and density-functional theory calculations. Co is deposited at room temperature on the reconstructed magnetite (001) surface filling first the subsurface octahedral vacancies and then occupying adatom sites on the surface. Progressive annealing treatments at temperatures up to 733 K diffuse the Co atoms into deeper crystal positions, mainly into octahedral ones with a marked inversion level. The oxidation state, coordination, and magnetic moments of the cobalt atoms are followed from their adsorption to their final incorporation into the bulk, mostly as octahedral Co2+. This precise control of the near-surface Co atoms location opens up the way to accurately tune the surface physical and magnetic properties of mixed spinel oxides.
中文翻译：
Co on Fe3O4（001）：精确控制表面性能
通过结合X射线光谱显微镜，低能电子衍射和密度泛函理论计算，证明了一种将钴原子掺入磁铁矿单晶中的新颖方法。Co在室温下沉积在重建的磁铁矿（001）表面上，该表面首先填充了地下八面体空位，然后占据了表面的吸附原子位置。在高达733 K的温度下进行的逐步退火处理将Co原子扩散到更深的晶体位置，主要扩散到具有明显反转水平的八面体位置。钴原子的氧化态，配位和磁矩从吸附到最终掺入主体（主要是八面体Co 2+。这种对近表面Co原子位置的精确控制为准确调整混合尖晶石氧化物的表面物理和磁性能开辟了道路。
更新日期：2016-03-03
中文翻译：
Co on Fe3O4（001）：精确控制表面性能
通过结合X射线光谱显微镜，低能电子衍射和密度泛函理论计算，证明了一种将钴原子掺入磁铁矿单晶中的新颖方法。Co在室温下沉积在重建的磁铁矿（001）表面上，该表面首先填充了地下八面体空位，然后占据了表面的吸附原子位置。在高达733 K的温度下进行的逐步退火处理将Co原子扩散到更深的晶体位置，主要扩散到具有明显反转水平的八面体位置。钴原子的氧化态，配位和磁矩从吸附到最终掺入主体（主要是八面体Co 2+。这种对近表面Co原子位置的精确控制为准确调整混合尖晶石氧化物的表面物理和磁性能开辟了道路。
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