Correlation between microhardness and electronic charge density of hafnium hydrides

B. Tsuchiya, R. Sahara, M. Oku, K. Konashi, S. Nagata, T. Shikama, H. Mizuseki, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


Quantitative Vickers microhardnesses for α + δ′-, δ′-, δ-, δ + ε- and ε-phase hafnium hydrides (HfHx; 1.46 ≤ x ≤ 2.02) and deuterides (HfDx; 1.55 ≤ x ≤ 1.94) at room temperature have been measured using a Vickers hardness tester. The Vickers microhardnesses of the HfHx and HfDx gradually decreased with an increase of the hydrogen concentration, and those for 1.46 ≤ x ≤ 1.70 were higher than that of α-phase metallic Hf. It was revealed by a first-principles calculation as well as an X-ray photoelectron spectroscopy (XPS) measurement that the hydrogen concentration dependence of the microhardnesses for HfHx and HfDx was ascribed mainly in terms of its influence on charge transfer from Hf 5d to H 1s and reduction of cohesive energy.

Original languageEnglish
Pages (from-to)685-688
Number of pages4
JournalJournal of Alloys and Compounds
Issue number2
Publication statusPublished - 2010 Jan 21


  • Charge transfer
  • Electronic structure
  • Hafnium hydride
  • Vickers microhardness


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