First principles study of core-hole effect on fluorine K-edge X-ray absorption spectra of MgF2 and ZnF2

Tomoyuki Yamamoto, Teruyasu Mizoguchi, Kazuyoshi Tatsumi, Isao Tanaka, Hirohiko Adachi, Yasuji Muramatsu, Eric M. Gullikson, Rupert C.C. Perera

研究成果: Article

5 引用 (Scopus)

抜粋

First principles calculations have been carried out to investigate the core-hole effects on the theoretical fine structures of the X-ray absorption spectra of MgF2: and ZnF2 at F K-edge. Significant differences are found between the calculated spectral fine structures with and without core-holes. Experimental profiles of the near-edge X-ray absorption fine structures are well reproduced by the theoretical ones when the core-hole effect is introduced. The dependence of supercell size on the theoretical fine structures is also examined.

元の言語English
ページ(範囲)1991-1993
ページ数3
ジャーナルMaterials Transactions
45
発行部数7
DOI
出版物ステータスPublished - 2004 7
外部発表Yes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

フィンガープリント First principles study of core-hole effect on fluorine K-edge X-ray absorption spectra of MgF<sub>2</sub> and ZnF<sub>2</sub>' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。

  • これを引用

    Yamamoto, T., Mizoguchi, T., Tatsumi, K., Tanaka, I., Adachi, H., Muramatsu, Y., Gullikson, E. M., & Perera, R. C. C. (2004). First principles study of core-hole effect on fluorine K-edge X-ray absorption spectra of MgF2 and ZnF2. Materials Transactions, 45(7), 1991-1993. https://doi.org/10.2320/matertrans.45.1991