Electronic structure of KTiOAsO4: A comparative study by the full potential linearized augmented plane wave method, X-ray emission spectroscopy and X-ray photoelectron spectroscopy

First-principles calculations and X-ray spectroscopy studies of the electronic structure of CuWO4

“…It should be mentioned that, comparison on a common energy scale of the X-ray emission W L␤ 5 , Cu L␣ and O K␣ bands and the XPS valence-band spectrum of CuWO 4 was made taking into account binding energies of the W 4f 7/2,5/2 , Cu 2p 3/2,1/2 and O 1s core-level electrons derived for this compound in our previous paper [25] and using measurements of photon energies of suitable inner X-ray lines. The method of matching the X-ray emission bands on a common energy scale is analogous to that applied successfully when studying the electronic structure of a number of transition metal oxides [43,[50][51][52].…”

Growth and electric-elastic properties of KTiOAsO4 single crystal

“…As the isostructural family of KTP, KTA has larger piezoelectric constants. 11 From the electronic structure of KTA reported by Khyzhun et al, 12 we know that there are two nonequivalent types of potassium, titanium, and arsenic atoms per cell and ten different positions for oxygen atoms. The structure contains distorted TiO 6 octahedra and AsO 4 tetrahedra.…”

Effects of strain and Li adsorption on the electronic structure and optical properties of arsenene

“…The adsorption height increased gradually with the increase of shear deformation and reached the maximum value of 2.355 Å at 8%, which was a great change compared with 1.424 Å at the time of undeformed. As-and Li-bearing compounds [45][46][47][48]. The density of states of the intrinsic arsenene is a combination of s-state and p-state electrons, and the sstate of the Li atom only contributes to part of the density of states in the arsenene adsorption system, and the regulation of the metallic nature mainly comes from the p-state electrons of the As atom.…”