Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Open Physics

formerly Central European Journal of Physics

Editor-in-Chief: Seidel, Sally

Managing Editor: Lesna-Szreter, Paulina


IMPACT FACTOR 2018: 1.005

CiteScore 2018: 1.01

SCImago Journal Rank (SJR) 2018: 0.237
Source Normalized Impact per Paper (SNIP) 2018: 0.541

ICV 2017: 162.45

Open Access
Online
ISSN
2391-5471
See all formats and pricing
More options …
Volume 9, Issue 3

Issues

Volume 13 (2015)

Symmetry analysis of the behavior of the family R6M23 compounds upon hydrogenation

Agnieszka Kuna
  • Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059, Cracow, Poland
  • Email
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Wiesława Sikora
  • Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059, Cracow, Poland
  • Email
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2011-02-26 | DOI: https://doi.org/10.2478/s11534-010-0062-4

Abstract

Symmetry analysis was applied in this work to discuss the behavior of the family R6M23 compounds upon hydrogenation (deuteration), where different structural transformations and magnetic properties, depending on the type of R and M atoms and hydrogen (deuterium) concentrations, have been found. The crystallographic structure of these compounds is described by the Fm3m space group and contain 116 atoms per unit cell occupying the positions 24e(R), 4b, 24d, 32f1 and 32f2(M). Additionally in the elementary cell, there could be up to 100 atoms of hydrogen (or deuterium) occupying the interstitial positions 4a, 32f3, 96j1 and 96k1. The symmetry analysis in the frame of the theory of space groups and their representation gives the opportunity to find all possible transformations from high symmetry parent structure to the structures with symmetry belonging to one of its subgroups. For a given transformation it indicates possible displacements of atoms from initial positions in the parent structure, ordering of hydrogen over interstitial sites and also ordering of magnetic moments, described by the smallest possible number of free parameters. The analysis was carried out by means of the MODY computer program for vectors k = (0; 0; 0) and k = (0; 0; 1) describing the changes of translational symmetry and all positions occupied by the R, M and D atoms.

Keywords: symmetry analysis method; structural phase transitions; magnetic phase transitions; hydrogen ordering; rare earth-transition metal compounds

  • [1] E. Burzo et al., In: H.P. Wijn (Ed.), Magnetic Properties of Metals: Compounds Between Rare Earth Elements and 3d, 4d or 5d Elements, New Series III/19d2 (Landolt-Börnstein, 1990) 223 Google Scholar

  • [2] J.J. Rhyne et al., J. Less-Common Met. 94, 95 (1983) http://dx.doi.org/10.1016/0022-5088(83)90145-5CrossrefGoogle Scholar

  • [3] K. Hardman-Rhyne et al., Phys. Rev. B 29, 416 (1984) http://dx.doi.org/10.1103/PhysRevB.29.416CrossrefGoogle Scholar

  • [4] K. Hardman-Rhyne et al., J. Less-Common Met. 96, 201 (1984) http://dx.doi.org/10.1016/0022-5088(84)90196-6CrossrefGoogle Scholar

  • [5] N.T. Littewood et al., J. Magn. Magn. Mater. 54–57, 491 (1986) http://dx.doi.org/10.1016/0304-8853(86)90678-5CrossrefGoogle Scholar

  • [6] Yu. A. Izyumov, V.N. Syromyatnikov, In: Yu. A. Izyumov, V.N. Syromyatnikov (Eds.), Phase Transitions and Crystal Symmetry (Kluwer Academic Publishers, Dordrecht, 1990) 19 http://dx.doi.org/10.1007/978-94-009-1920-4_2CrossrefGoogle Scholar

  • [7] W. Sikora, F. Białas, L. Pytlik, J. Appl. Crystallogr. 37, 1015 (2004) http://dx.doi.org/10.1107/S0021889804021193CrossrefGoogle Scholar

  • [8] G.T. Rado, H. Suhl, In: E.F. Bertaut (Ed.), Treatise on Magnetism, vol. 3 (Academic Press, New York, 1963) Chapter 4 Google Scholar

  • [9] E.F. Bertaut, J. Phys. 32C1, 462 (1971) Google Scholar

  • [10] J. Malinowski, PhD thesis, AGH University of Science and Technology (Cracow, Poland, 2007) Google Scholar

  • [11] O.V. Kovalev, Representations of the Crystallographic Space Groups (Gordon & Breach, London, 1993) Google Scholar

About the article

Published Online: 2011-02-26

Published in Print: 2011-06-01


Citation Information: Open Physics, Volume 9, Issue 3, Pages 674–689, ISSN (Online) 2391-5471, DOI: https://doi.org/10.2478/s11534-010-0062-4.

Export Citation

© 2010 Versita Warsaw. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

Comments (0)

Please log in or register to comment.
Log in