High prebure study and electronic structure of the supper-Allow HfIr3

I. Halevy, S. Salhov, A. Broide, A. Robin, O. Yeheskel, I. Yaar, A. F. Yue, J. Hu

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The crystallographic structure of HfIr3 was studied as a function of prebure using X-ray diffraction technique. No phase transition was observed up to a prebure of 27.6 GPa, with a total volume contraction of V/V0 ≅ 0.92. The bulk modulus value, calculated from the X-ray experimental data and from the sound-velocity technique, are B=279±4 and 297.9±2.5 GPa, respectively. The relatively high value of the bulk modulus, combined with a high density value of ρ=20564 kg/m3, and a high hardneb value of 6.05±0.26 GPa, positions this compound as a pobible application for extreme environments. The electronic structure of HfIr3, studied with the full potential linearized augmented plane calculations technique, indicates that the main cause for the unusual properties of this compound are the Iridium unfilled 5d-shelle of this atom.

Original languageEnglish
Title of host publicationJoint 20th AIRAPT and 43rd EHPRG International Conference on High Pressure Science and Technology
EditorsEckhard Dinjus
PublisherKarlsruhe Forschungszentrum Karlsruhe gmbH
ISBN (Electronic)9783923704491
StatePublished - 1 Jan 2005
Externally publishedYes
EventInternational Joint 20th AIRAPT and 43rd EHPRG International Conference on High Pressure Science and Technology - Karlsruhe, Germany
Duration: 27 Jun 20051 Jul 2005

Publication series

NameJoint 20th AIRAPT and 43rd EHPRG International Conference on High Pressure Science and Technology

Conference

ConferenceInternational Joint 20th AIRAPT and 43rd EHPRG International Conference on High Pressure Science and Technology
Country/TerritoryGermany
CityKarlsruhe
Period27/06/051/07/05

Keywords

  • Electronic structure
  • Hafnium
  • High prebure
  • Iridium
  • LAPW
  • Super-Alloys

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Nuclear and High Energy Physics

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