Electronic Structure and Magnetic Properties of Iron Doped TiO2 (Rutile): XPS Measurements and CPA Calculations

2014 ◽  
Vol 215 ◽  
pp. 28-34 ◽  
Author(s):  
Michael A. Korotin ◽  
Nikolay A. Skorikov ◽  
Ernst Z. Kurmaev ◽  
Dmitry A. Zatsepin ◽  
Seif O. Cholakh
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
Valence Band ◽  
Coherent Potential Approximation ◽  
Photoelectron Spectra ◽  
Cation Substitution ◽  
Spectral Features ◽  
Potential Approximation ◽  
X Ray

X-ray photoelectron spectra of TiO2:Fe are measured. Electronic structure and magnetic properties of rutile doped by iron are calculated in frames of the coherent potential approximation. The main experimental spectral features of TiO2:Fe such as heterovalent cation substitution (Fe3+→Ti4+), 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 TiO2 are described.

X-ray Spectroscopic Studies of the Bulk Electronic Structure of InGaN Alloys

2002 ◽  
Vol 743 ◽  
Author(s):  
Cormac McGuinness ◽  
James E. Downes ◽  
Philip Ryan ◽  
Kevin E. Smith ◽  
Dharanipal Doppalapudi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Valence Band ◽  
Absorption Spectra ◽  
Conduction Band ◽  
Partial Density ◽  
Significant Shift ◽  
Band Shift ◽  
X Ray ◽  
X Ray Absorption

ABSTRACTSynchrotron radiation excited soft x-ray emission and soft x-ray absorption spectroscopies are applied to the study of the electronic structure of InxGa1-xN alloys with (0 ≤ x ≤ 0.29). The elementally resolved partial density of states of the valence and conduction bands may be measured using these spectroscopies. The x-ray absorption spectra indicate that the conduction band broadens considerably with increasing indium incorporation. The band gap evolution as a function of indium content derives primarily from this broadening of the conduction band states. The emission spectra indicate that motion of the valence band makes a smaller contribution to the evolution of the band gap. This gap evolution differs from previous studies on the AlxGa1-xN alloy system, which observed a linear valence band shift through the series (0 < x < 1). Instead in the case of InxGa1-xN the valence band exhibits a significant shift between x = 0 and x = 0.1 with minimal movement thereafter. Furthermore, evidence of In 4d -N 2p and Ga 3d- N 2p hybridisation is reported. Finally, the thermal stability of an In011Ga089N film was investigated. Both emission and absorption spectra were found to have a temperature dependent shift in energy, but the overall definition of the spectra was unaltered even at annealing temperatures well beyond the growth temperature of the film.

scholarly journals Electronic Structure and X-Ray Photoelectron Spectra of YNi4B Compound

2003 ◽  
Vol 104 (5) ◽  
pp. 487-494 ◽  
Author(s):  
M. Pugaczowa-Michalska ◽  
G. Chełkowska ◽  
A. Kowalczyk
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectra ◽  
X Ray

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

Electronic structure, x-ray spectra, and magnetic properties of the LiCoO2−δ and NaxCoO2 nonstoichiometric oxides

2002 ◽  
Vol 44 (2) ◽  
pp. 266-273 ◽  
Author(s):  
V. R. Galakhov ◽  
V. V. Karelina ◽  
D. G. Kellerman ◽  
V. S. Gorshkov ◽  
N. A. Ovechkina ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
X Ray ◽  
Nonstoichiometric Oxides
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