Structure, elastic stiffness, and hardness of Os 1- xRu xB 2 solid solution transition-metal diborides

Mohammed Kanoun, Patrick Hermet, Souraya Goumri-Said

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

On the basis of recent experiments, the solid solution transition-metal diborides were proposed to be new ultra-incompressible hard materials. We investigate using density functional theory based methods the structural and mechanical properties, electronic structure, and hardness of Os 1-xRu xB 2 solid solutions. A difference in chemical bonding occurs between OsB 2 and RuB 2 diborides, leading to significantly different elastic properties: a large bulk, shear moduli, and hardness for Os-rich diborides and relatively small bulk, shear moduli, and hardness for Ru-rich diborides. The electronic structure and bonding characterization are also analyzed as a function of Ru-dopant concentration in the OsB 2 lattice. © 2012 American Chemical Society.
Original languageEnglish (US)
Pages (from-to)11746-11751
Number of pages6
JournalThe Journal of Physical Chemistry C
Volume116
Issue number21
DOIs
StatePublished - May 18 2012

ASJC Scopus subject areas

  • Surfaces, Coatings and Films
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials

Fingerprint Dive into the research topics of 'Structure, elastic stiffness, and hardness of Os 1- xRu xB 2 solid solution transition-metal diborides'. Together they form a unique fingerprint.

Cite this