High-pressure semiconductor-semimetal transition in TiS2

D.R. Allan, A.A. Kelsey, S.J. Clark, R.J. Angel, G.J. Ackland

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

We present results of high-pressure single-crystal x-ray-diffraction studies and ab initio pseudopotential calculations of stoichiometric TiS2. Neither present any evidence for a structural phase transition; it is shown that the material undergoes an isostructural semiconductor-semimetal phase transition between 4 and 6 GPa.
Original languageEnglish
Pages (from-to)5106-5110
Number of pages5
JournalPhysical review B
Volume57
Issue number9
Publication statusPublished - 1 Mar 1998

Keywords / Materials (for Non-textual outputs)

  • METAL DICHALCOGENIDES
  • ELECTRONIC-STRUCTURE
  • GROUND-STATE
  • PSEUDOPOTENTIALS
  • PHOTOEMISSION
  • KBAR
  • CELL
  • GPA

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