Carbon nanotubes: opportunities and challenges

http://max.materials.drexel.edu/wp-content/uploads/Halim_XPS_of_MXenes-2016.pdf

X-ray photoelectron spectroscopy of select multi-layered transition metal carbides (MXenes)

The Binary Rare Earth Oxides.

High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information

Size effects in the Raman spectra of TiO2 nanoparticles

FP-LAPW investigation of electronic structure of TaN and TaC compounds

Electronic changes induced by vacancies on spectral and elastic properties of titanium carbides and nitrides

The authors first calculate a standard 'linear muffin-tin orbital' band structure (including combined correction and exchange correlation) for TiO2 compounds in rutile structure. The outcoming bands, especially the last valence (mostly O 2p states) and first conduction (mostly Ti t2g states) bands, are fairly hybridized. The authors then use the information contained in the previously considered density of states to build a simplified electronic structure of TiO2 in order to interpret the Ti core-level photoemission spectra in the simplest way. To achieve this they use the filled band impurity Anderson model which treats the Ti 3d electron-electron correlations and they incorporate the 3d-core hole interaction. Although the model is quite crude from the point of view of the one-electron band structure calculation, it contains many-electron features which can be solved exactly and which are sufficient to roughly describe the satellite structure observed in the core photoemission spectra of TiO2 (as well as related insulating compounds like Li43/Ti53/O4 or TiF4, for example).

http://iopscience.iop.org/article/10.1088/0953-8984/3/12/007/pdf

Electronic structure and core level photoemission spectra in TiO2 compounds

The spectra of 3 d photoemission, valence photoemission and BIS in Ce 2 O 3 are analyzed theoretically by using the filled band Anderson model. The calculated spectra are in satisfactory agreement with experimental data by choosing appropriately the parameter values in the model. The characteristic features of these spectra are discussed in comparison with those of CeO 2 , for which some new analysis is also made to obtain better agreement with experimental results.

Theory of XPS and BIS spectra in Ce2O3 and CeO2

Theoretical analysis is made for spectra of the 3 d core photoemission (3 d -XPS) and 2 p core photoabsorption ( L 3 -XAS) in insulating La compounds La 2 O 3 , LaF 3 and LaCl 3 by using the single-site Anderson model. In order to give a consistent interpretation for 3 d -XPS and L 3 -XAS, it is essentially important to take into account, in the final state of L 3 -XAS, the Coulomb interaction U f d (between 4 f and 5 d electrons) and - U d c (between a 5 d electron and a core hole) in addition to - U f c (between a 4 f electron and a core hole). A similar analysis is also presented for the intermetallic cornpound LaPd 3 .

J.C. Parlebas

Papers

FP-LAPW investigation of electronic structure of TaN and TaC compounds

Electronic changes induced by vacancies on spectral and elastic properties of titanium carbides and nitrides

Electronic structure and core level photoemission spectra in TiO2 compounds

Theory of XPS and BIS spectra in Ce2O3 and CeO2

Many Body Effect in Inner Shell Photoemission and Photoabsorption Spectra of La Compounds