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CaCu2(SeO3)2Cl2: spin-1/2 Heisenberg chain compound with complex frustrated interchain couplings
Oleg Janson, Alexander A. Tsirlin, Helge Rosner +4
We report the crystal structure, magnetization measurements, and band-structure calculations for the spin-1/2 quantum magnet CaCu2(SeO3)2Cl2. The magnetic behavior of this compound…
Peculiar long-range superexchange in Cu2A2O7 (A = P, As, V) as a key element of the microscopic magnetic model
O. Janson, A. A. Tsirlin, J. Sichelschmidt +3
A microscopic magnetic model for alpha-Cu2P2O7 is evaluated in a combined theoretical and experimental study. Despite a dominant intradimer coupling J1, sizable interdimer coupling…
Crystal water induced switching of magnetically active orbitals in CuCl2
M. Schmitt, O. Janson, M. Schmidt +4
The dehydration of CuCl2*2(H2O) to CuCl2 leads to a dramatic change in magnetic behavior and ground state. Combining density functional electronic structure and model calculations…
Intrinsic peculiarities of real material realizations of a spin-1/2 kagome lattice
O. Janson, J. Richter, H. Rosner
Spin-1/2 magnets with kagome geometry, being for years a generic object of theoretical investigations, have few real material realizations. Recently, a DFT-based microscopic model…
Modified kagome physics in the natural spin-1/2 kagome lattice systems - kapellasite Cu3Zn(OH)6Cl2 and haydeeite Cu3Mg(OH)6Cl2
O. Janson, J. Richter, H. Rosner
The recently discovered natural minerals Cu3Zn(OH)6Cl2 and Cu3Mg(OH)6Cl2 are spin 1/2 systems with an ideal kagome geometry. Based on electronic structure calculations, we develop…