X-ray Absorption Fine Structure (XAFS) techniques, namely, X-ray Near Edge Structure (XANES), Extended XAFS (EXAFS), and Anomalous X-ray Diffraction (AXRD) were used to investigate the local atomic and electronic structure of (Ga, Mn)N magnetic layers with Mn concentrations of up to 10% grown by Molecular Beam Epitaxy. The XANES and AXRD analysis prove the Mn incorporation on substitutional GaN lattice sites. EXAFS results indicate the good quality of the structure under examination, although 0.5 nitride atom vacancies were found. The Wien2k code was applied to interpret the XANES spectra quantitatively, i.e., to determine the electronic structure of the Mn atoms. It was shown that accounting for the core-hole effect is necessary to reconstruct effectively the XANES spectra. Conducted charge density analysis based on DFT calculations identified the valency of Mn atom to be of 2.4+.
Mono-, di- and polynuclear cobalt(ii) silanethiolates in a tetrahedral CoN2S2 environment and a general formula of [Co{SSi(tBuO)3}2(L)2]n have been obtained and their spectroscopic and magnetic properties have been characterized.
Undoped and N-doped films are grown by atomic layer deposition under O-rich conditions. Scanning photoelectron microscopy studies carried out on the films cross sections with a state-of-the-art resolution of 130 nm, allowed the study of the electronic structure of individual crystallites. In has been found that crystallites can be divided into two types, that differ in the electronic structure of the valence band. This finding, together with the cathodoluminescence images showing clustering the acceptor- and donor-related emission, unveiled that acceptors and donors are grouped in separate regions of the and : films. Density-functional-theory (DFT) calculations reveal that the complexes involving zinc vacancy, hydrogen, and nitrogen (in the case of :) modify the density of states in the valence-band region, so the experimentally observed differences in photoelectron spectra between crystallites evidence the grouping of acceptor complexes in some crystallites. DFT calculations also suggest that shallow acceptor states might be of origin. Nitrogen willingly joins such complexes and facilitates their formation. The separation of donors and acceptors and its tendency to group along the growth columns is of great relevance for future applications, as it indicates that eventual electronic devices should rather be constructed in a vertical architecture.