Structural features of Ge1Sb4Te7, an intermetallic compound in the GeTe-Sb2Te3 homologous series

Toshiyuki Matsunaga, Rie Kojima, Noboru Yamada, Kouichi Kifune, Yoshiki Kubota, Masaki Takata

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)


The structural and bonding nature of Ge1Sb4Te 7 is investigated using an X-ray diffraction method and calculations based on density-functional theory (DFT). This material's crystal is confirmed to have a 12-layered, close-packed cubic stacking structure (P3̄m1). In this crystal, Te atoms occupy their own specific layers; however, it has been revealed that Ge and Sb atoms are not located in their respective layers but cause partial atomic disordering across other layers. The structure consists of two kinds of NaCl slabs stacked alternately, and the calculations demonstrate that adjacent slabs are connected by a van der Waals-type weak force and that Ge1Sb4Te7 forms a compound semiconductor with a very narrow band gap.

Original languageEnglish
Pages (from-to)5750-5755
Number of pages6
JournalChemistry of Materials
Issue number18
Publication statusPublished - 2008 Sep 23
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry


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