Electronic structure and magnetic properties of iron doped TiO_2 (rutile): XPS measurements and CPA calculations

Michael A. Korotin; Nikolay A. Skorikov; Ernst Z. Kurmaev; Dmitry A. Zatsepin; Seif O. Cholakh

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Electronic structure and magnetic properties of iron doped TiO_2 (rutile): XPS measurements and CPA calculations

机译：铁掺杂TiO_2（金红石）的电子结构和磁性特性：XPS测量和CPA计算

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X-ray photoelectron spectra of TiO_2:Fe are measured. Electronic structure and magnetic properties of rutile doped by iron are calculated in the frame of the coherent potential approximation. The main experimental spectral features of TiO_2:Fe such as heterovalent cation substitution (Fe~((3+)→Ti~(4+)), decreasing of the band gap value and appearance of additional features at the bottom and top of X-ray photoelectron spectra of valence band in comparison with those for undoped TiO_2 are described.

机译：测量TiO_2：Fe的X射线光电子光谱。铁金红石的电子结构和磁性由铁掺杂在相干电位近似的框架中。 TiO_2：Fe的主要实验光谱特征如异丙阳离子取代（Fe〜（（3+）→Ti〜（4+）），减少带隙值和X-底部和顶部附加特征的外观描述了与未掺杂的TiO_2的射线光电子能谱相比之下。

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来源
《Diffusion and Defect Data. Solid State Data, Part B. Solid State Phenomena》 |2014年第null期|共7页
作者
Michael A. Korotin; Nikolay A. Skorikov; Ernst Z. Kurmaev; Dmitry A. Zatsepin; Seif O. Cholakh;
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作者单位

Institute of Metal Physics UB RAS 18 ul. S.Kovalevskaya Yekaterinburg 620990 Russia;

Institute of Metal Physics UB RAS 18 ul. S.Kovalevskaya Yekaterinburg 620990 Russia;

Institute of Metal Physics UB RAS 18 ul. S.Kovalevskaya Yekaterinburg 620990 Russia;

Institute of Metal Physics UB RAS 18 ul. S.Kovalevskaya Yekaterinburg 620990 Russia;

Ural Federal University 19 ul. Mira Yekaterinburg 620002 Russia;

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原文格式 PDF
正文语种 eng
中图分类半导体物理学;
关键词
Rutile; titanium dioxide; iron impurity; X-ray photoelectron spectra; coherent potential approximation.;

机译：金红石;二氧化钛;铁杂质;X射线光电子体光谱;相干电位近似。;

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1. Electronic structure and magnetic properties of iron doped TiO_2 (rutile): XPS measurements and CPA calculations [J] . Michael A. Korotin, Nikolay A. Skorikov, Ernst Z. Kurmaev, Diffusion and Defect Data. Solid State Data, Part B. Solid State Phenomena . 2014,第Null期

机译：铁掺杂TiO_2（金红石）的电子结构和磁性特性：XPS测量和CPA计算
2. Electronic and magnetic properties of double-impurities-doped TiO_2 (rutile): First-principles calculations [J] . P. Murugan, R. V. Belosludov, H. Mizuseki, Journal of Applied Physics . 2006,第8Pt3期

机译：双杂质掺杂的TiO_2（金红石）的电子和磁性：第一性原理计算
3. Thickness dependence of the atomic and electronic structures of TiO_2 rutile (110) slabs and the effects on the electronic and magnetic properties of supported clusters of Pd and Rh [J] . P. Murugan, Vijay Kumar, Yoshiyuki Kawazoe Physical review. B, Condensed Matter And Materials Physics . 2006,第7期

机译：TiO_2金红石（110）平板的原子和电子结构的厚度依赖性以及对Pd和Rh负载簇的电子和磁性的影响
4. Electronic structure and magnetic properties of iron doped TiO_2 (rutile): XPS measurements and CPA calculations [C] . Michael A. Korotin, Nikolay A. Skorikov, Ernst Z. Kurmaev, Euro-Asian Symposium "Trends in MAGnetism" . 2014

机译：铁掺杂TiO_2（金红石）的电子结构和磁性特性：XPS测量和CPA计算
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Electronic structure and magnetic properties of iron doped TiO_2 (rutile): XPS measurements and CPA calculations

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