Abstract
The perturbed angular correlation method has been employed to study the temperature dependence of the 181Ta hyperfine interaction parameters in the polycrystalline intermetallic compound αHfNi. At ambient temperature the frequency of the electric quadrupole interaction was ω Q = 26.0(2) Mrad/s and the asymmetry parameter η = 0.22(1). The magnitude of the observed electric field gradient decreases with increasing temperature from 78 to 900 K. The calculations were done using the augmented plane wave plus local orbitals method as implemented in the WIEN2k code, using the generalized gradient approximation. In addition, a supercell calculation with Ta impurity located at the hafnium site was performed. The obtained result is in a good agreement with the experiment.
Similar content being viewed by others
References
Mukai, D., Miyata, H., Aolo, K.: J. Alloys Comp. 293–295, 417–420 (1999)
Stojić, D.L.J., Kumrić, S.V., Belošević-Čavor, J.N., Radaković, J.S., Cekić, B.D.J., Mentus, S.V.: Int. J. Hydrogen Energy (2009). doi:10.1016/j.ijhydene.2009.02.055
Van Essen, R.M., Buschow, K.H.J.: J. Less-Common Met. 64, 277–284 (1979)
Nemirovskaya, I.E., Alekseev, A.M., Lunin, V.V.: J. Alloys Compd. 177, 1–15 (1991)
Nemirovskaya, I.E., Lunin, V.V.: J. Alloys Compd. 209, 93–97 (1994)
Yaar, I., Cohen, D., Halevy, I., Kahane, S., Ettedgui, H., Aslanov, R., Berant, Z.: Hyperfine Interact. 159, 351–356 (2004)
Goldben, M.P., Sandrock, G.D.: US Patent No. 5673556, issued on October 7, 1997
Yang, S., Aubertin, F., Rehbein, P., Gonser, U.: Hyperfine Interact. 69, 537–540 (1991)
Gerdau, E., Winkler, H., Gebert, W., Giese, B., Braunsfurth, J.: Hyperfine Interact. 1, 459–467 (1976)
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)
Williams, A.R., Kubler, J., Gelatt, C.D. Jr.: Phys. Rev., B 19, 6094 (1979)
Koteski, V., Ivanovæ, N., Cekić, B., Milošević, Z.: J. Phys. Soc. Jpn. 73(8), 2158–2163 (2004)
Hunter, B.: “RIETICA—A Visual RIETVELD Program” International Union of Crystallography Commission on Powder Diffraction Newsletter No. 20 Summer (1998). http://www.rietica.org
Butz, T., Lerf, A.: Phys. Lett., A 97, 217–218 (1983)
Perdew, J.P., Burke, S., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865–3868 (1996)
Blochl, Jepsen, O., Andersen, O.K.: Phys. Rev., B 49, 16223–16233 (1994)
Blaha, P., Schwarz, K., Herzig, P.: Phys. Rev. Lett. 54, 1192–1195 (1985)
Wodiecki, P., Wodniecka, B., Kulińska, A., Uhrmacher, M., Lieb, K.P.: J. Alloys Compd. 351, 1–6 (2003)
Wodiecki, P., Wodniecka, B., Kulińska, A., Uhrmacher, M., Lieb, K.P.: J. Alloys Compd. 399, 52–56 (2005)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Cekić, B., Umićević, A., Ivanovski, V. et al. Thermal evolution of the electric field gradient at 181Ta in αHfNi. Hyperfine Interact 196, 339–347 (2010). https://doi.org/10.1007/s10751-009-0135-1
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10751-009-0135-1