Thermodynamic observables of Mn12-acetate calculated for the full spin-Hamiltonian
arXiv:1506.06944 · doi:10.1103/PhysRevB.92.064424
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.
6 pages, 7 figures