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.

6 pages, 7 figures

References in corpus (13)

• The Kernel Polynomial Method
• Spin nematic correlations in bilinear-biquadratic S=1 spin chains
• Finite temperature properties and frustrated ferromagnetism in a square lattice Heisenberg model
• Low Temperature Lanczos Method
• Magnetocaloric effect in the frustrated square lattice J1-J2 model
• Exchange Interactions and High-Energy Spin States in Mn_12-acetate
• Microscopic origin of isotropic non-Heisenberg behavior in highly correlated systems
• Numerically exact and approximate determination of energy eigenvalues for antiferromagnetic molecules using irreducible tensor operators and general point-group symmetries
• Tetrahedra system Cudaca: high-temperature manifold of molecular configurations governing low-temperature properties
• First-principles modelling of magnetic excitations in Mn12
• Observation of field-dependent magnetic parameters in the magnetic molecule {Ni4Mo12}
• Advanced Finite-Temperature Lanczos Method for anisotropic spin systems
• Kondo Lattice Model with Finite Temperature Lanczos Method

Cited by in corpus (5)

• Magnetic Exchange Interactions in the Molecular Nanomagnet Mn${}_{12}$
• Unravelling the Spin Dynamics of Molecular Nanomagnets with Four-Dimensional Inelastic Neutron Scattering
• Description of molecular nanomagnets by the multi-orbital Hubbard model with correlated hopping
• Magnetization distribution in a spin ladder-shaped quantum nanomagnet
• Investigation of thermalization in giant-spin models by different Lindblad schemes