Structural, thermodynamic, and electronic properties of Laves-phase NbMn2 from first principles, x-ray diffraction, and calorimetric experiments

  • X. Yan
  • , Xing-Qiu Chen (Corresponding author)
  • , H. Michor
  • , W. Wolf
  • , V. T. Witusiewicz
  • , E. Bauer
  • , R. Podloucky
  • , P. Rogl

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number125110
Number of pages10
JournalPhysical Review B
Volume97
Issue number12
DOIs
Publication statusPublished - 9 Mar 2018

Austrian Fields of Science 2012

  • 104017 Physical chemistry

Keywords

  • TOTAL-ENERGY CALCULATIONS
  • AUGMENTED-WAVE METHOD
  • BASIS-SET
  • SPIN ICE
  • MGZN2-TYPE
  • STABILITY
  • ACCURATE
  • LIQUID
  • SYSTEM

Fingerprint

Dive into the research topics of 'Structural, thermodynamic, and electronic properties of Laves-phase NbMn2 from first principles, x-ray diffraction, and calorimetric experiments'. Together they form a unique fingerprint.

Cite this