Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2010-11-24
Phys. Rev. B 83, 094435 (2011)
Physics
Condensed Matter
Strongly Correlated Electrons
8 pages, 5 figures, 1 table; discussion extended
Scientific paper
10.1103/PhysRevB.83.094435
A microscopic magnetic model for alpha-Cu2P2O7 is evaluated in a combined theoretical and experimental study. Despite a dominant intradimer coupling J1, sizable interdimer couplings enforce long-range magnetic ordering at T_N=27 K. The spin model for alpha-Cu2P2O7 is compared to the models of the isostructural beta-Cu2V2O7 and alpha-Cu2As2O7 systems. As a surprise, coupled dimers in alpha-Cu2P2O7 and alternating chains in alpha-Cu2As2O7 contrast with a honeycomb lattice in beta-Cu2V2O7. We find that the qualitative difference in the coupling regime of these isostructural compounds is governed by the nature of AO4 side groups: d-elements (A = V) hybridize with nearby O atoms forming a Cu-O-A-O-Cu superexchange path, while for p-elements (A = P, As) the superexchange is realized via O-O edges of the tetrahedron. Implications for a broad range of systems are discussed.
Janson Oleg
Rosner Helge
Sichelschmidt Joerg
Skourski Yurii
Tsirlin Alexander A.
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