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.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
Change history
02 July 2019
This article has been corrected because one of the authors given names was incorrect.
References
Joubert, J.-M., Latroche, M., Percheron-Guégan, A.: J. Alloys Compd. 231, 494 (1995)
Ruiz, F.C., Castro, E.B., Real, S.G., Peretti, H.A., Visintin, A., Triaca, W.E.: Int. J. Hydrog. Energy 33, 3576 (2008)
Nei, J., Young, K., Regmi, R., Lawes, G., Salley, S.O., Ng, K.Y.S.: Int. J. Hydrog. Energy 37, 16042 (2012)
Young, K., Ouchi, T., Fetcenko, M.A., Mays, W., Reichman, B.: Int. J. Hydrog. Energy 34, 8695 (2009)
Young, K.-H., Nei, J.: Materials 6, 4574 (2013)
Ruiz, F.C., Castro, E.B., Peretti, H.A., Visintin, A.: Int. J. Hydrog. Energy 35, 9879 (2010)
Young, K., Nei, J., Ouchi, T., Fetcenko, M.A.: J. Alloys Compd. 509, 2277 (2011)
Kirkpatrick, M.E., Smith, J.F., Larsen, W.L.: Acta Crystallogr. 15, 894 (1962)
Joubert, J.-M., Černý, R., Yvon, K., Latroche, M., Percheron-Guégan, A.: Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 53, 1536 (1997)
Schatz, G., Weidinger, A.: Nuclear condensed matter physics: nuclear methods and applications (1996)
Dey, S.K., Dey, C.C., Saha, S., Belošević-Čavor, J.: Intermetallics 84, 112 (2017)
Dey, S.K., et al.: J. Solid State Chem. 269, 476 (2019)
Béraud, R., Berkes, I., Daniére, J., Marest, G., Rougny, R.: Nucl. Inst. Methods 69, 41 (1969)
Zacate, M., Jaeger, H.: Defect Diffus Forum 311, 3 (2011)
Joubert, J.-M., Černý, R., Yvon, K., Krist, Z.: New Cryst. Struct. 213, 227 (1998)
Eshelman, F.R., Smith, J.F.: Acta Crystallographica Section B 28, 1594 (1972)
Rodríguez-Carvajal, J.: Phys. B Condens. Matter 192, 55 (1993)
Dey, C.C., Srivastava, S.K.: Phys. B Condens. Matter 427, 126 (2013)
Dai, C., Saidi, P., Yao, Z., Daymond, M.R.: Acta Mater. 140, 56 (2017)
Nash, P., Jayanth, C.S.: Bull. Alloy Phase Diagr. 5, 144 (1984)
Wodniecka, B., Marszałek, M., Wodniecki, P., Hrynkiewicz, A.Z.: Hyperfine Interact. 80, 1039 (1993)
Wodniecki, P., Wodniecka, B., Kulińska, A., Uhrmacher, M., Lieb, K.P.: J. Alloys Compd. 312, 17 (2000)
Wodniecka, B., et al.: J. Alloys Compd. 219, 132 (1995). Eleventh international conference on solid compounds of transition elements
Wodniecki, P., Wodniecka, B., Marszałek, M., Hrynkiewicz, A.Z.: Zeitschrift für Naturforschung A 51, 437 (1996)
Wodniecki, P., Wodniecka, B., Kulińska, A., Hrynkiewicz, A.Z.: Zeitschrift für Naturforschung A 53, 355 (1998)
Wodniecki, P., Kulińska, A., Wodniecka, B., Hrynkiewicz, A.Z.: Zeitschrift für Naturforschung A 53, 349 (1998)
Petrilli, H.M., Marszałek, M., Saitovitch, H.: Zeitschrift für Naturforschung A 51, 537 (1996)
Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN 2k: an augmented plane wave plus local orbitals program for calculating crystal properties, Vienna University of Technology, Vienna, Austria (2001)
Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)
Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 78, 1396 (1997)
Zhang, Y., Yang, W.: Phys. Rev. Lett. 80, 890 (1998)
Belošević-Čavor, J., Koteski, V., Radaković, J.: Solid State Commun. 152, 1072 (2012)
Blaha, P., Schwarz, K., Herzig, P.: Phys. Rev. Lett. 54, 1192 (1985)
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.
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher’s note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
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
Rights and permissions
About this article
Cite this article
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
Published:
DOI: https://doi.org/10.1007/s10751-019-1568-9