Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian

Hanebaum O, Schnack J (2015)
Physical Review B 92(6): 064424.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
Thirty-five years after its synthesis, magnetic observables are calculated for the molecular nanomagnet Mn-12-acetate using a spin Hamiltonian that contains all spins. Starting from a very advanced density functional theory parametrization [V. V. Mazurenko et al., Phys. Rev. B 89, 214422 (2014)], 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. We compare the results with those obtained from other parametrizations. Our investigations demonstrate that it is now possible to assess the quality of parametrizations of effective spin Hamiltonians for rather large magnetic molecules.
Erscheinungsjahr
Zeitschriftentitel
Physical Review B
Band
92
Zeitschriftennummer
6
Artikelnummer
064424
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Hanebaum O, Schnack J. Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian. Physical Review B. 2015;92(6): 064424.
Hanebaum, O., & Schnack, J. (2015). Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian. Physical Review B, 92(6), 064424. doi:10.1103/PhysRevB.92.064424
Hanebaum, O., and Schnack, J. (2015). Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian. Physical Review B 92:064424.
Hanebaum, O., & Schnack, J., 2015. Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian. Physical Review B, 92(6): 064424.
O. Hanebaum and J. Schnack, “Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian”, Physical Review B, vol. 92, 2015, : 064424.
Hanebaum, O., Schnack, J.: Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian. Physical Review B. 92, : 064424 (2015).
Hanebaum, Oliver, and Schnack, Jürgen. “Thermodynamic observables of Mn-12-acetate calculated for the full spin Hamiltonian”. Physical Review B 92.6 (2015): 064424.