TDPAC study of the ZrCo-hydrogen system

I. Yaar; Z. Gavra; D. Cohen; Y. Levitin; G. Kimmel; S. Kahane; A. Hemy; Z. Berant

TDPAC study of the ZrCo-hydrogen system

I. Yaar, Z. Gavra, D. Cohen, Y. Levitin, G. Kimmel, S. Kahane, A. Hemy, Z. Berant

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

7 Scopus citations

Abstract

The properties of the ZrCo-hydrogen system as a function of composition ratio H/ZrCo were investigated by combining TDPAC and X-ray diffraction techniques with the full potential linearized augmented plane wave (LAPW) band structure calculations. It was found that during hydrogenation ZrCo transferred directly into ZrCoH₃ and no transition phase existed. The z component V_zz of the efg and the asymmetry parameter η at the Zr and Co sites were calculated for ZrCoH₃ by using the structure parameters of Zr and Co, obtained in the present work, combined with the hydrogen structure parameters obtained from neutron diffraction on ZrNiH₃. The calculations are in good agreement with the measured values for V_zz and η. This agreement is consistent with the proposed 4c and 8f interstitial sites occupancy of the hydrogen atoms in ZrCoH₃.

Original language	English
Pages (from-to)	563-568
Number of pages	6
Journal	Hyperfine Interactions
Volume	120-121
Issue number	1-8
State	Published - 1 Dec 1999
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Nuclear and High Energy Physics
Condensed Matter Physics
Physical and Theoretical Chemistry

Cite this

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title = "TDPAC study of the ZrCo-hydrogen system",

abstract = "The properties of the ZrCo-hydrogen system as a function of composition ratio H/ZrCo were investigated by combining TDPAC and X-ray diffraction techniques with the full potential linearized augmented plane wave (LAPW) band structure calculations. It was found that during hydrogenation ZrCo transferred directly into ZrCoH3 and no transition phase existed. The z component Vzz of the efg and the asymmetry parameter η at the Zr and Co sites were calculated for ZrCoH3 by using the structure parameters of Zr and Co, obtained in the present work, combined with the hydrogen structure parameters obtained from neutron diffraction on ZrNiH3. The calculations are in good agreement with the measured values for Vzz and η. This agreement is consistent with the proposed 4c and 8f interstitial sites occupancy of the hydrogen atoms in ZrCoH3.",

author = "I. Yaar and Z. Gavra and D. Cohen and Y. Levitin and G. Kimmel and S. Kahane and A. Hemy and Z. Berant",

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TY - JOUR

T1 - TDPAC study of the ZrCo-hydrogen system

AU - Yaar, I.

AU - Gavra, Z.

AU - Cohen, D.

AU - Levitin, Y.

AU - Kimmel, G.

AU - Kahane, S.

AU - Hemy, A.

AU - Berant, Z.

PY - 1999/12/1

Y1 - 1999/12/1

N2 - The properties of the ZrCo-hydrogen system as a function of composition ratio H/ZrCo were investigated by combining TDPAC and X-ray diffraction techniques with the full potential linearized augmented plane wave (LAPW) band structure calculations. It was found that during hydrogenation ZrCo transferred directly into ZrCoH3 and no transition phase existed. The z component Vzz of the efg and the asymmetry parameter η at the Zr and Co sites were calculated for ZrCoH3 by using the structure parameters of Zr and Co, obtained in the present work, combined with the hydrogen structure parameters obtained from neutron diffraction on ZrNiH3. The calculations are in good agreement with the measured values for Vzz and η. This agreement is consistent with the proposed 4c and 8f interstitial sites occupancy of the hydrogen atoms in ZrCoH3.

AB - The properties of the ZrCo-hydrogen system as a function of composition ratio H/ZrCo were investigated by combining TDPAC and X-ray diffraction techniques with the full potential linearized augmented plane wave (LAPW) band structure calculations. It was found that during hydrogenation ZrCo transferred directly into ZrCoH3 and no transition phase existed. The z component Vzz of the efg and the asymmetry parameter η at the Zr and Co sites were calculated for ZrCoH3 by using the structure parameters of Zr and Co, obtained in the present work, combined with the hydrogen structure parameters obtained from neutron diffraction on ZrNiH3. The calculations are in good agreement with the measured values for Vzz and η. This agreement is consistent with the proposed 4c and 8f interstitial sites occupancy of the hydrogen atoms in ZrCoH3.

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M3 - Article

AN - SCOPUS:0000774243

SN - 0304-3843

VL - 120-121

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JO - Hyperfine Interactions

JF - Hyperfine Interactions

IS - 1-8

ER -

TDPAC study of the ZrCo-hydrogen system

Abstract

ASJC Scopus subject areas

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