Literature DB >> 20576440

Theoretical ELNES using one-particle and multi-particle calculations.

Teruyasu Mizoguchi1, Weine Olovsson, Hidekazu Ikeno, Isao Tanaka.   

Abstract

One-, two-, and many-particle calculations for electron-energy-loss near-edge structures (ELNES) are reviewed. The most important point for the ELNES calculation is the proper introduction of the core-hole effect. By introducing the core-hole effect in a sufficiently large supercell, one-particle calculations are applicable to the ELNES of many edges. On the other hand, the two-particle interaction between the excited electron and the core-hole, namely the excitonic effect, is significant in the K edges of very light elements and the L(2,3) edges of Mg and Al. Many-particle interactions, including both electron-electron and electron-hole interactions, are indispensable for the L(2,3) edges of transition metals and the M(4,5) edges of lanthanides, namely white lines. In this review, we present the basics, methodologies, and some applications of one-, two-, and many-particle calculations. In addition, importance of momentum transfer vector in the ELNES calculations for comparison with the experiments is discussed.

Entities:  

Year:  2010        PMID: 20576440     DOI: 10.1016/j.micron.2010.05.011

Source DB:  PubMed          Journal:  Micron        ISSN: 0968-4328            Impact factor:   2.251


  7 in total

1.  Quantitative analyses of oxidation states for cubic SrMnO(3) and orthorhombic SrMnO(2.5) with electron energy loss spectroscopy.

Authors:  S Kobayashi; Y Tokuda; T Mizoguchi; N Shibata; Y Sato; Y Ikuhara; T Yamamoto
Journal:  J Appl Phys       Date:  2010-12-21       Impact factor: 2.546

2.  Simulated carbon K edge spectral database of organic molecules.

Authors:  Kiyou Shibata; Kakeru Kikumasa; Shin Kiyohara; Teruyasu Mizoguchi
Journal:  Sci Data       Date:  2022-05-16       Impact factor: 8.501

3.  An estimation of molecular dynamic behaviour in a liquid using core-loss spectroscopy.

Authors:  Yoshiki Matsui; Koichiro Seki; Akihide Hibara; Teruyasu Mizoguchi
Journal:  Sci Rep       Date:  2013-12-20       Impact factor: 4.379

4.  Estimation of the molecular vibration of gases using electron microscopy.

Authors:  Hirotaka Katsukura; Tomohiro Miyata; Manabu Shirai; Hiroaki Matsumoto; Teruyasu Mizoguchi
Journal:  Sci Rep       Date:  2017-12-12       Impact factor: 4.379

5.  Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy.

Authors:  Shin Kiyohara; Tomohiro Miyata; Koji Tsuda; Teruyasu Mizoguchi
Journal:  Sci Rep       Date:  2018-09-06       Impact factor: 4.379

6.  Stabilization of metastable ferroelectric Ba₁-xCaxTi₂O₅ by breaking Ca-site selectivity via crystallization from glass.

Authors:  Atsunobu Masuno; Chikako Moriyoshi; Teruyasu Mizoguchi; Toshihiro Okajima; Yoshihiro Kuroiwa; Yasutomo Arai; Jianding Yu; Hiroyuki Inoue; Yasuhiro Watanabe
Journal:  Sci Rep       Date:  2013-10-22       Impact factor: 4.379

7.  Cerium oxide nanoparticles with antioxidant capabilities and gadolinium integration for MRI contrast enhancement.

Authors:  Peter Eriksson; Alexey A Tal; Andreas Skallberg; Caroline Brommesson; Zhangjun Hu; Robert D Boyd; Weine Olovsson; Neal Fairley; Igor A Abrikosov; Xuanjun Zhang; Kajsa Uvdal
Journal:  Sci Rep       Date:  2018-05-03       Impact factor: 4.379

  7 in total

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