Electronic structure of multiferroic BiFeO3: Electron energy-loss spectroscopy and first-principles study

Investigations on electronic structure of YMnO3 by electron energy loss spectra and first-principle calculations

“…It indicates that O–Mn and O–Y covalent bonds are formed between O atoms and Mn/Y atoms, which has a stabilizing effect on the ferroelectric phase. The feature group of e is an absorption peak, which is a diffractive region due to a backscattering process between the absorber and its nearest neighbor oxygen shell (Kim et al , 2014; Wang et al , 2019a, 2019b). In Figure 6, there are two main peaks of Mn L 2,3 edge in the experiment and calculations, which are originating from the electron transition from 2p 3/2 and 2p 1/2 states to unoccupied 3d bands (Nishida et al , 2013).…”

“…By analyzing the energy loss distribution of inelastic scattered electrons, the spatial environment information of the electrons can be obtained, and various physical and chemical properties of the sample can be studied. (Egerton et al, 1987;Zhang et al, 2008;Lin et al, 2019aLin et al, , 2019bWang et al, 2019aWang et al, , 2019b. First-principle calculations were used to analyze the single-electron excitation from the valence band (VB) to the conduction band (CB) in EELS experiments.…”