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Grzegorz Leniec, Sławomir M. Kaczmarek, Marek Berkowski, Michał Głowacki, Tomasz Skibiński and Bohdan Bojanowski
Single crystals of ErVO4 were grown by the Czochralski method under ambient pressure in a nitrogen atmosphere. Obtained crystals were transparent with strong pink coloring. Electron paramagnetic resonance (EPR) spectra were recorded as a function of the applied magnetic field. Temperature and angular dependences of the EPR spectra of the samples in the 3–300 K temperature range were analyzed applying both Lorentzian––Gauss approximation for diluted medium and Dyson for dense magnetic medium. EPR-NMR program was done to find local symmetry and spin Hamiltonian parameters of erbium ions.
The Heisenberg Hamiltonian appropriate to exchange clusters commutes with the square of the total spin ant its third component. Therefore in studying the exchange coupled clusters of medium/high nuclearity the spin quantum number S can be utilized in factoring of large interaction matrices (dimension of which is 104 - 105). Then the blocks of much lower size can be diagonalized using the desktop computers. To this end, the eigenvalues form the partition function Z(T,B) from which all thermodynamic properties, including the magnetization M(B,T0) and the magnetic susceptibility χ(T,B0), can be reconstructed. The matrix elements of the interaction operators in the coupled basis set of spin kets have been generated with the help of the irreducible tensor operators for a loop for S = Smin until S = Smax. In addition to the modelling of energy levels for different topologies, a fitting of magnetic data is exemplified by a number of examples like [Fe6] and [Mn3Cr4] systems
Dominik Lomjanský, Filip Varga, Cyril Rajnák, Ján Moncoľ, Roman Boča and Ján Titiš
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CLARK, R.C., REID, J.S.: The analytical calculation of absorption in multifaceted crystals. Acta Chryst. A, 51, 1995, 887-897.
CCDC (Cambridge Crystallographic Data Centre): http://www.ccdc.cam.ac.uk/ . 2016.
FROST, J.M., HARRIMAN, K.L.M., MURUGESU, M.: The rise of 3-d single-ion magnets in molecular