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

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

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Hanebaum, Oliver; Schnack, JürgenUniBi
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
2015
Zeitschriftentitel
Physical Review B
Band
92
Ausgabe
6
Art.-Nr.
064424
ISSN
1098-0121
Page URI
https://pub.uni-bielefeld.de/record/2784765

Zitieren

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.

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