PL EN


Preferences help
enabled [disable] Abstract
Number of results
2014 | 126 | 1 | 50-51
Article title

Exchange Interactions in a Low-Dimensional Magnetic System Cu(H_{2}O)_{2}(en)SO_{4}

Content
Title variants
Languages of publication
EN
Abstracts
EN
We report a theoretical ab-initio investigation of the exchange interaction between Cu atoms in Cu(H_{2}O)_{2}(en)SO_{4}, en=C_{2}H_{8}N_{2}(ethylenediamine), an insulating magnetic material. Unlike previous experimental studies which describe the system as a quasi-two-dimensional antiferromagnet, our results, based on the mapping of the system onto an effective Heisenberg model, suggest a quasi-one-dimensional character of magnetism, with the exchange coupling between the Cu atoms being propagated along a zigzag line, lying in the crystal's bc plane and connecting the Cu atoms through the N atoms. Furthermore, we report the calculated positions of the H atoms that have not been provided in experimental papers.
Keywords
Contributors
author
  • Nanotechnology Centre, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava, Czech Republic
author
  • Nanotechnology Centre, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava, Czech Republic
author
  • Institute of Technology, Pedagogical University, ul. Podchorazych 2, 30-084 Kraków, Poland
References
  • [1] M. Kajňaková, M. Orendáč, A. Orendáčová, A. Vlček, J. Černák, O.V. Kravchyna, A.G. Anders, M. Bałanda, J.-H. Park, A. Feher, M.W. Meisel, Phys. Rev. B 71, 014435 (2005), doi: 10.1103/PhysRevB.71.014435
  • [2] C. Yasuda, S. Todo, K. Hukushima, F. Alet, M. Keller, M. Troyer, H. Takayama, Phys. Rev. Lett. 94, 217201 (2005), doi: 10.1103/PhysRevLett.94.217201
  • [3] B. Lake, D.A. Tennant, C.D. Frost, S.E. Nagler, Nature Materials 4, 329 (2005), doi: 10.1038/nmat1327
  • [4] G. Kresse, J. Furhmüller, Phys. Rev. B 54, 11169 (1996), doi: 10.1103/PhysRevB.54.11169
  • [5] G. Kresse, J. Furhmüller, Comput. Mater. Sci. 6, 15 (1996), doi: 10.1016/0927-0256(96)00008-0
  • [6] V. Manríquez, M. Campos-Vallette, N. Lara, N. González-Tejeda, O. Wittke, G. Díaz, S. Diez, R. Munoz, L. Kriskovic, J. Chem. Crystall. 26, 15 (1996), doi: 10.1007/BF02018691
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv126n1021kz
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.