We investigate the electronic structure of 3dconfiguration vanadium oxides (VO, SrVOand CaVO) using soft X-ray (SX) and hard X-ray (HX) photoemission spectroscopy (PES). The valence band spectra of VOin SX- and HX-PES clearly show the opening of a gap at Eacross the metal-insulator ...
structure of V2O5, V2O3 and VO2 Krystyna Schneider1 Received: 16 March 2020 / Accepted: 12 May 2020 / Published online: 22 May 2020 © The Author(s) 2020 Abstract The electronic structure of the three main vanadium oxides—V2O3, VO2 and V2O5—is reviewed. ...
The electronic absorption spectra of the hexaquo ions of trivalent titanium, vanadium, manganese, and cobalt in host crystals of C(NH2)3Al(SO4)2·6 H2O and of (Ti, Al)Cl3·6 H2O are presented and discussed in relation to earlier studies on the hexaquochromium(III) ion in these and rel...
Analysis of the Density of States (DOS) diagrams indicates that vanadium and cobalt introduce peaks in the conduction band and near the Fermi level in the valence band, respectively, leading to enhanced electrical conductivity. The electronic structural analysis showed a reduction in the band gap ...
here we report coherent spin manipulations on1at room temperature. We achieve this by engineering the electronic configuration of the metal centre, an approach that could be combined with the beautiful engineering of the ligand shell demonstrated by other groups7,8,9,10,11....
et al. Terahertz-field-induced insulator-to-metal transition in vanadium dioxide metamaterial. Nature 487, 345–348 (2012). 21. Matsunaga, R. & Shimano, R. Nonequilibrium BCS state dynamics induced by intense terahertz pulses in a superconducting NbN film. Phys. Rev. Lett. 109, 187002 (...
5), while the less intense one, f= 0.186, at 5.79 eV is dominated by the HOMO-2-LUMO configuration (CI coeff. 0.678). From the analysis of molecular orbitals, it is observed that for the first electronic transition, as shown in Fig. 5, there is a reorganization of electronic density ...
For further analysis of the electronic structure we apply the free atom comparison method (FACM) [27,93–95] which makes use of the most dominant electronic configuration and its orbital model (details are given in the Appendix A). For the first time, this analysis of the molecular ...
Fig. 1: The effect of random and correlated disorder on electronic and phonon bands. aOrdered A2B structure with A halfway between B atoms on a square lattice.bA random configuration of A site distortions.cTwo-in-two-out rule for correlated distortions.dCorrelated disorder with perpendicular str...
The structure, properties, and dynamics of oxygen vacancies in amorphous SiO/sub 2/ Oxygen vacancies in SiOhave long been known to be bistable, forming a Si-Si dimer when neutral and a puckered configuration when positively charged. Here we report extensive first-principles calculations of O ...