Correlation between microhardness and electronic charge density of hafnium hydrides |
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| Authors: | B Tsuchiya R Sahara M Oku K Konashi S Nagata T Shikama H Mizuseki Y Kawazoe |
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| Affiliation: | 1. Research School of Physics and Engineering, Australian National University, Canberra, ACT 0200, Australia;2. GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt, Germany;3. Technische Universität Darmstadt, 64289 Darmstadt, Germany;4. Australian Synchrotron, Clayton, VIC 3168, Australia;1. School of Physics, Reva University, Yelahanka, Bangalore 560064, India;2. Prof. C.N.R. Rao Centre for Advanced Materials Research, Tumkur University, Tumkur 572103, India;3. Department of Physics, Savitribai Phule Pune University, Pune 411007, India;1. Department of Materials Science and Engineering, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan;2. Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya 464-8603, Japan;1. School of Physics, REVA University, Yelahanka, Bangalore 560 064, India;2. Prof. C.N.R. Rao Centre for Advanced Materials Research, Tumkur University, Tumkur 572 103, India;3. Department of Physics, Savitribai Phule Pune University, Pune 411 007, India |
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| Abstract: | Quantitative Vickers microhardnesses for α + δ′-, δ′-, δ-, δ + ?- and ?-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. |
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