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

Masami Terauchi | Zendy; Haruhiko Morito | Zendy; Hisanori Yamane | Zendy; Shogo Koshiya | Zendy; Koji Kimoto | Zendy

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

Author(s) -

Masami Terauchi,

Haruhiko Morito,

Hisanori Yamane,

Shogo Koshiya,

Koji Kimoto

Publication year - 2018

Publication title -

microscopy

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.545

H-Index - 52

eISSN - 2050-5701

pISSN - 2050-5698

DOI - 10.1093/jmicro/dfx132

Subject(s) - cluster (spacecraft) , emission spectrum , wien2k , density of states , materials science , covalent bond , spectroscopy , crystallography , silicon , atomic physics , spectral line , molecular physics , chemistry , analytical chemistry (journal) , electronic structure , condensed matter physics , computational chemistry , physics , optoelectronics , local density approximation , organic chemistry , quantum mechanics , astronomy , chromatography , computer science , programming language

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.

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