English

Thermodynamic observables of Mn12-acetate calculated for the full spin-Hamiltonian

Strongly Correlated Electrons 2015-08-31 v1

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.

Keywords

Cite

@article{arxiv.1506.06944,
  title  = {Thermodynamic observables of Mn12-acetate calculated for the full spin-Hamiltonian},
  author = {O. Hanebaum and J. Schnack},
  journal= {arXiv preprint arXiv:1506.06944},
  year   = {2015}
}

Comments

6 pages, 7 figures