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Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations

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A Correction to this article was published on 02 July 2019

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Abstract

Intermetallic compound Zr7Ni10 has been studied by perturbed angular correlation (PAC) spectroscopy to determine the electric field gradient and site occupation of Hf dopant in the compound. A mixture of phase components were found in this sample. The component with Vzz = 6.6(1)× 1021 V/m2 and η = 0.71(1) at room temperature has been assigned to Zr7Ni10 phase. In this sample, Zr2Ni7 and Zr8Ni21 phases were also found to be present along with Zr7Ni10. No phase transition is observed in the temperature range 77-1073 K in this sample. The electric field gradient (Vzz) for Zr7Ni10 phase was found to decrease linearly with temperature. The phase components in Zr7Ni10 have been determined also from X-ray powder diffraction (XRD) measurement. Theoretical calculations of EFG have been performed in Ta-doped Zr7Ni10 using all electron full potential (linearized) augmented plane wave [FP-(L)APW] method, within the framework of the density functional theory (DFT) to compare the results with the values obtained from PAC measurements and to know the site preference of 181Ta probe in the host matrix.

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  • 02 July 2019

    This article has been corrected because one of the authors given names was incorrect.

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Acknowledgements

The authors thankfully acknowledge Mr. A. Karmahapatra of Saha Institute of Nuclear Physics, Kolkata for X-ray diffraction measurements. The present work is supported by the Department of Atomic Energy, Government of India through the Grant no. 12-R&D-SIN-5.02-0102 and by The Ministry of Education, Science and Technological Department of the Republic of Serbia through the Grant no. 171001.

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Authors and Affiliations

  1. Applied Nuclear Physics Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata, 700 064, India

    Sourav Kumar Dey, Chandi Charan Dey & Satyajit Saha

  2. Homi Bhabha National Institute, Anushaktinagar, Mumbai, 400 094, India

    Sourav Kumar Dey, Chandi Charan Dey, Satyajit Saha & Debashis Banerjee

  3. Accelerator Chemistry Section, RCD (BARC), Variable Energy Cyclotron Centre, Kolkata, 700064, India

    Debashis Banerjee

  4. Institute of Nuclear Sciences Vinca, University of Belgrade, P. O. Box 522, 11001, Belgrade, Serbia

    Dragan Toprek

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  1. Sourav Kumar Dey
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  2. Chandi Charan Dey
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Correspondence to Sourav Kumar Dey.

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This article has been corrected because one of the authors given names was incorrect.

This article is part of the Topical Collection on Proceedings of the International Conference on Hyperfine Interactions and their Applications (HYPERFINE 2019), Goa, India, 10-15 February 2019

Edited by S. N. Mishra, P. L. Paulose and R. Palit

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Dey, S.K., Dey, C.C., Saha, S. et al. Local structure study of 181Hf dopants in Zr7Ni10 by perturbed angular correlation spectroscopy and first principles calculations. Hyperfine Interact 240, 25 (2019). https://doi.org/10.1007/s10751-019-1568-9

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  • DOI: https://doi.org/10.1007/s10751-019-1568-9

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