Correlation between microhardness and electronic charge density of hafnium hydrides

B. Tsuchiya; R. Sahara; M. Oku; K. Konashi; Shinji Nagata; Tatsuo Shikama; H. Mizuseki; Yoshiyuki Kawazoe

doi:10.1016/j.jallcom.2009.09.151

Correlation between microhardness and electronic charge density of hafnium hydrides

B. Tsuchiya, R. Sahara, M. Oku, K. Konashi, Shinji Nagata, Tatsuo Shikama, H. Mizuseki, Yoshiyuki Kawazoe

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

Quantitative Vickers microhardnesses for α + δ′-, δ′-, δ-, δ + ε- and ε-phase hafnium hydrides (HfH_x; 1.46 ≤ x ≤ 2.02) and deuterides (HfD_x; 1.55 ≤ x ≤ 1.94) at room temperature have been measured using a Vickers hardness tester. The Vickers microhardnesses of the HfH_x and HfD_x 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 HfH_x and HfD_x was ascribed mainly in terms of its influence on charge transfer from Hf 5d to H 1s and reduction of cohesive energy.

Original language	English
Pages (from-to)	685-688
Number of pages	4
Journal	Journal of Alloys and Compounds
Volume	489
Issue number	2
DOIs	https://doi.org/10.1016/j.jallcom.2009.09.151
Publication status	Published - 2010 Jan 21

Keywords

Charge transfer
Electronic structure
Hafnium hydride
Vickers microhardness

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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title = "Correlation between microhardness and electronic charge density of hafnium hydrides",

abstract = "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.",

keywords = "Charge transfer, Electronic structure, Hafnium hydride, Vickers microhardness",

author = "B. Tsuchiya and R. Sahara and M. Oku and K. Konashi and Shinji Nagata and Tatsuo Shikama and H. Mizuseki and Yoshiyuki Kawazoe",

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AU - Tsuchiya, B.

AU - Sahara, R.

AU - Oku, M.

AU - Konashi, K.

AU - Nagata, Shinji

AU - Shikama, Tatsuo

AU - Mizuseki, H.

AU - Kawazoe, Yoshiyuki

PY - 2010/1/21

Y1 - 2010/1/21

N2 - 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.

AB - 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.

KW - Charge transfer

KW - Electronic structure

KW - Hafnium hydride

KW - Vickers microhardness

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