title: Excitonic, vibrational, and van der Waals interactions in electron energy loss spectroscopy.
abstract: The pioneer, Ondrej L. Krivanek, and his collaborators have opened up many frontiers for the electron energy loss spectroscopy (EELS), and they have demonstrated new potentials of the EELS method for investigating materials. Here, inspired by those achievements, we show further potentials of EELS based on the results of theoretical calculations, that is excitonic and van der Waals (vdW) interactions, as well as vibrational information of materials. Concerning the excitonic interactions, we highlight the importance of the two-particle calculation to reproduce the low energy-loss near-edge structure (ELNES), the Na-L2,3edge of NaI and the Li-K edge of LiCl and LiFePO4. Furthermore, an unusually strong excitonic interaction at the O-K edge of perovskite oxides, SrTiO3and LaAlO3, is shown. The effect of the vdW interaction in the ELNES is also investigated, and we observe that the magnitude of the vdW effect is approximately 0.1eV in the case of the ELNES from a solid and liquid, whereas its effect is almost negligible in the case of the ELNES from the gaseous phase owing to the long inter-molecular distance. In addition to the "static" information, the influence of the "dynamic" behavior of atoms in materials to EELS is also investigated. We show that measurements of the infrared spectrum are possible by using a modern monochromator system. Furthermore, an estimation of the atomic vibration in core-loss ELNES is also presented. We show the acquisition of vibrational information using the ELNES of liquid methanol and acetic acid, solid Al2O3, and oxygen gas.
authors.affiliation: Institute of Industrial Science, University of Tokyo, Tokyo 153-8505, Japan. Electronic address: teru@iis.u-tokyo.ac.jp.
authors.forename: T
authors.initials: T
authors.lastname: Mizoguchi
authors.affiliation: Institute of Industrial Science, University of Tokyo, Tokyo 153-8505, Japan.
authors.forename: T
authors.initials: T
authors.lastname: Miyata
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden.
authors.forename: W
authors.initials: W
authors.lastname: Olovsson
keywords: Excitonic interaction; First principles calculation; Gas and liquid; Li-ion battery; Vibrational information; van der Waals interaction