Computational investigations of the magnetic properties of the V15 magnetic molecular nanocluster model in strong magnetic fields by the Monte Carlo method

In the work, the exchange interactions in V15 magnetic molecular nanoclusters are examined. The magnetization reversal process is investigated at various values of exchange constant set by means of the Monte-Carlo method. It is shown, that the most exact agreement with experimental results of the field dependence of susceptibility is observed in the following set of exchange interaction constants in the V15 magnetic molecular nanocluster: J = 500 К, J′ = 150 К, J″ = 225 К, J1 = 50 К, J2 = 50 К. For the first time, the heat capacity reveals by two maxima located in close proximity at each three transitions from low-spin state into the high-spin behavior.

► In work exchange interactions in a magnetic molecular nanoclusters are examined. ► The magnetization process is investigated at various values of exchange constant. ► The exchange constants most exactly coinciding with experimental results are found. ► The heat capacity reveals by two maxima located in close proximity at transitions.