Abstract
Here we present a calculation scheme which allows us to obtain the electronic structure and exchange interaction parameters of low-dimensional magnetic compounds with subsequent construction of the spin model and verification of this model by comparing the simulated thermodynamic properties with experimental data. This scheme is implemented to quasi-one-dimensional (1D) perovskite \(\hbox {KCuF}_3\), the S = 1 spin ladder \(\hbox {Rb}_3\hbox {Ni}_2(\hbox {NO}_3)_7\) compound, and potassium dimanganese trivanadate, \(\hbox {KMn}_2\hbox {V}_3\hbox {O}_{10}\), containing Mn tetramers.
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Pchelkina, Z.V. Calculation of Magnetic Exchange Interactions and Construction of a Spin Model for Low-Dimensional Magnetic Compounds. J. Electron. Mater. 48, 1480–1485 (2019). https://doi.org/10.1007/s11664-018-06913-w
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DOI: https://doi.org/10.1007/s11664-018-06913-w