Accurate quantum mechanical treatment of phonon instability: Body-centred cubic zirconium

Y. Wang, R. Ahuja, M. C. Qian, B. Johansson

Research output: Contribution to journalLetterpeer-review

11 Scopus citations

Abstract

The T1 N point and ω point phonon anomalies for body-centered cubic (bcc) Zr are studied using an approach which goes beyond the traditional quasi-harmonic approximation and perturbation theory. We are able to reproduce, for the first time, the anomalous phonon behaviour in bcc Zr.

Original languageEnglish (US)
Pages (from-to)L695-L701
JournalJournal of Physics Condensed Matter
Volume14
Issue number43
DOIs
StatePublished - Nov 4 2002

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

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