Thermodynamic observables of Mn12-acetate calculated for the full spin-Hamiltonian
Abstract
35 years after its synthesis magnetic observables are calculated for the first time for the molecular nanomagnet Mn12-acetate using a spin-Hamiltonian that contains all spins. Starting from a very advanced DFT parameterization [Phys. Rev. B 89, 214422] we evaluate magnetization and specific heat for this anisotropic system of 12 manganese ions with a staggering Hilbert space dimension of 100,000,000 using the Finite-Temperature Lanczos Method.
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