Electronic structure of superconducting inorganic polymer (SN)x

E. Z. Kurmaev, A. I. Poteryaev, V. I. Anisimov, I. Karla, A. Moewes, B. Schneider, M. Neumann, D. L. Ederer, R. N. Lyubovskaya

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

The results of our theoretical and experimental study of electronic structure of poly(sulfur nitride) are presented. The S L2,3 (3s→2p transition) and N Kα (2p→1s transition) X-ray emission spectra (XES) of (SN)x single crystal are measured using synchrotron radiation. The experimental spectra are compared with the results of ab-initio TB-LMTO band structure calculations of 3D solid (SN)x and molecular (S2N2)2 crystals. It is found that the molecular (S2N2)2 is an insulator with a band gap about 2.7 eV whereas the solid (SN)x is metallic. According to the theoretical and experimental information, the S 3p states dominate the density of states (DOS) at the Fermi level and provide the metallic and superconducting properties of this compound.

Original languageEnglish
Pages (from-to)191-198
Number of pages8
JournalPhysica C: Superconductivity and its Applications
Volume321
Issue number3
DOIs
Publication statusPublished - 20 Aug 1999
Externally publishedYes

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