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Soft X-ray emission spectroscopy study of electronic structure of sodium borosilicide Na8B74.5Si17.5.
Terauchi, Masami; Morito, Haruhiko; Yamane, Hisanori; Koshiya, Shogo; Kimoto, Koji.
Afiliación
  • Terauchi M; Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.
  • Morito H; Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.
  • Yamane H; Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.
  • Koshiya S; Research Center for Advanced Measurement and Characterization, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan.
  • Kimoto K; Research Center for Advanced Measurement and Characterization, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan.
Microscopy (Oxf) ; 67(suppl_1): i72-i77, 2018 Mar 01.
Article en En | MEDLINE | ID: mdl-29370378
Chemical bonding state of sodium borosilicide Na8B74.5Si17.5, which is a new member of B12-cluster materials, is investigated by soft X-ray emission spectroscopy. The material is composed of B12 cluster network and characteristic silicon chains of [-Si-(Si-Si)3-Si-] connected by sp3 bonding, in which bonding distances and bonding angles are close to those in cubic Si crystal. B K-emission spectrum of the material showed a similar but a broader intensity distribution with those of B12 cluster materials of α-r-B, B4C and ß-r-B. The broader intensity distribution can be due to a variation of B-B bond length in B12 cluster. The density of states (DOS) of silicon chains of [-Si-(Si-Si)3-Si-] was experimentally derived. It shows a similar energy width, and peak or shoulder structures in intensity distribution with those of L-emission spectrum of cubic Si. From comparisons between experimental spectra and corresponding calculated DOS, covalent bonding between Si chain and B12 cluster network is suggested. Those are discussed by using a theoretically calculated density of state of Na8B74.5Si17.5 by using WIEN2k code.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Microscopy (Oxf) Año: 2018 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Microscopy (Oxf) Año: 2018 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Reino Unido