Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2

V. Petkov, S. J.L. Billinge, P. Larson, S. D. Mahanti, T. Vogt, K. K. Rangan, M. G. Kanatzidis

Research output: Contribution to journalArticlepeer-review

129 Citations (Scopus)

Abstract

The structure of LiMoS2 has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (∼50 Å) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted Mo-S6 octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.

Original languageEnglish
Article number092105
Pages (from-to)921051-921054
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number9
Publication statusPublished - Mar 1 2002

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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