Interpretation of Valence Band X-Ray Spectra

1969 ◽  
Vol 13 ◽  
pp. 182-236 ◽  
Author(s):  
David J. Nagel
Keyword(s):  
Electronic Structure ◽  
Valence Band ◽  
Experimental Conditions ◽  
X Ray ◽  
Bonding Theory ◽  
Spectral Interpretation ◽  
Basic Work ◽  
Band Spectra ◽  
Valence Bands ◽  
Basic Studies

X -ray spectra arising from the valence bands of solids are useful for basic studies of the electronic structure of most materials and for practical measurements of unknowns to obtain information on local atomic structure and material properties as well as chemical composition. Understanding the characteristics of valence band spectra is prerequisite to their fullest use. One-electron and many-body aspects of the x-ray emission process, and the effects of experimental conditions, must be understood and are reviewed. Interpretation of spectral features and determination of electronic structure are complementary parts of one procedure which is based on the use of bonding theory. The various band and bond theories which are finding use for spectral interpretation are briefly reviewed. Calculation of the electronic structure of aluminum metal and quartz, and interpretation of their x-ray spectra, are examples which illustrate basic work with valence band spectra.

Effects of Potassium Chemisorption on the Electronic Structure of VxOy/TiO2 Surfaces

1996 ◽  
Vol 454 ◽  
Author(s):  
Fulvio Parmigiani ◽  
Laura E. Depero ◽  
Luigi Sangaletti
Keyword(s):  
Electronic Structure ◽  
Valence Band ◽  
Photoelectron Spectroscopy ◽  
Open Shell ◽  
Band Edge ◽  
X Ray ◽  
Core Line ◽  
Band Spectra ◽  
Gap States ◽  
Vanadium Ions

ABSTRACTX-ray photoelectron spectroscopy of pure and K chemisorbed VxOy/TiO2 powders are reported. Core-line and valence band spectra suggest the presence of vanadium open shell ions on the pure VxOy/TiO2 interface, whereas potassium vanadate seems to form after K chemisorption. That results in the presence of a significant amount of gap states, with vanadium character, just above the O2p band edge, for the pure VxOy/TiO2 powder, while K chemisorption, reducing significantly the open shell vanadium ions, quenches the gap emission in the XPS valence band spectra.

Electronic structure of Ni and Pd alloys. I. X-ray photoelectron spectroscopy of the valence bands

1983 ◽  
Vol 27 (4) ◽  
pp. 2145-2178 ◽  
Author(s):  
John C. Fuggle ◽  
F. Ulrich Hillebrecht ◽  
R. Zeller ◽  
Zygmunt Zołnierek ◽  
Peter A. Bennett ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
X Ray ◽  
Valence Bands

Bulk and Surface Electronic Structure of GaN Measured Using Angle-Resolved Photoemission, Soft X-ray Emission and Soft X-ray Absorption

1996 ◽  
Vol 449 ◽  
Author(s):  
Kevin E. Smith ◽  
Sarnjeet S Dhesi ◽  
Laurent-C. Duda ◽  
Cristian B Stagarescu ◽  
J. H. Guo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Valence Band ◽  
Absorption Spectra ◽  
Conduction Band ◽  
Brillouin Zone ◽  
Emission Spectra ◽  
Partial Density ◽  
High Symmetry ◽  
X Ray ◽  
X Ray Absorption

ABSTRACTThe electronic structure of thin film wurtzite GaN has been studied using a combination of angle resolved photoemission, soft x-ray absorption and soft x-ray emission spectroscopies. We have measured the bulk valence and conduction band partial density of states by recording Ga L- and N K- x-ray emission and absorption spectra. We compare the x-ray spectra to a recent ab initio calculation and find good overall agreement. The x-ray emission spectra reveal that the top of the valence band is dominated by N 2p states, while the x-ray absorption spectra show the bottom of the conduction band as a mixture of Ga 4s and N 2p states, again in good agreement with theory. However, due to strong dipole selection rules we can also identify weak hybridization between Ga 4s- and N 2p-states in the valence band. Furthermore, a component to the N K-emission appears at approximately 19.5 eV below the valence band maximum and can be identified as due to hybridization between N 2p and Ga 3d states. We report preliminary results of a study of the full dispersion of the bulk valence band states along high symmetry directions of the bulk Brillouin zone as measured using angle resolved photoemission. Finally, we tentatively identify a non-dispersive state at the top of the valence band in parts of the Brillouin zone as a surface state.

Valence-band electronic structure ofMoS2and Cs/MoS2(0002) studied by angle-resolved x-ray photoemission spectroscopy

1996 ◽  
Vol 54 (8) ◽  
pp. 5471-5479 ◽  
Author(s):  
Ken T. Park ◽  
Michelle Richards-Babb ◽  
James S. Hess ◽  
Jeff Weiss ◽  
Kamil Klier
Keyword(s):  
Electronic Structure ◽  
Valence Band ◽  
Photoemission Spectroscopy ◽  
X Ray

BBonding in minerals: the application of PAX (photoelectron and X-ray) spectroscopy to the direct determination of electronic structure

1989 ◽  
Vol 53 (370) ◽  
pp. 153-164 ◽  
Author(s):  
David S. Urch
Keyword(s):  
Electronic Structure ◽  
Valence Band ◽  
Photoelectron Spectroscopy ◽  
Direct Determination ◽  
Energy Scale ◽  
X Ray ◽  
Electron Transitions ◽  
Dipole Selection Rule ◽  
The Individual

AbstractX-ray photoelectron spectroscopy can be used to measure the ionization energies of electrons in both valence band and core orbitals. As core vacancies are the initial states for X-ray emission, a knowledge of their energies for all atoms in a mineral enables all the X-ray spectra to be placed on a common energy scale. X-ray spectra are atom specific and are governed by the dipole selection rule. Thus the individual bonding roles of the different atoms are revealed by the fine structure of valence X-ray peaks (i.e. peaks which result from electron transitions between valence band orbitals and core vacancies). The juxtaposition of such spectra enables the composition of the molecular orbitals that make up the chemical bonds of a mineral to be determined.Examples of this approach to the direct determination of electronic structure are given for silica, forsterite, brucite, and pyrite. Multi-electron effects and developments involving anisotropic X-ray emission from single crystals are also discussed.

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.

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