Exchange Interactions in a Low-Dimensional Magnetic System Cu(H2O)2(en)SO4 |
| R. Sýkoraa, D. Leguta, U.D. Wdowikb
aNanotechnology Centre, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava, Czech Republic bInstitute of Technology, Pedagogical University, ul. Podchorazych 2, 30-084 Kraków, Poland |
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| We report a theoretical ab-initio investigation of the exchange interaction between Cu atoms in Cu(H2O)2(en)SO4, en=C2H8N2(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. |
DOI: 10.12693/APhysPolA.126.50 PACS numbers: 75.10.Hk, 75.10.-b, 75.40.Cx, 75.50.Ee |