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Soft X-ray emission spectroscopy study of electronic structure of sodium borosilicide Na8B74.5Si17.5

Abstract 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 β-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.

Autoren:   Terauchi M, Morito H, Yamane H, et al.
Journal:   Journal of Electron Microscopy
Band:   67
Ausgabe:   suppl_1
Jahrgang:   2018
Seiten:   i72
DOI:   10.1093/jmicro/dfx132
Erscheinungsdatum:   23.01.2018
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