NANO-SCALE FERRIMAGNET Mn<sub>12</sub>Ac IN MEGAGAUSS MAGNETIC FIELD

Platonov, V. V.; Tatsenko, O. M.; Быков, А. И.; Clark, Damian; Fowler, C.M.; Goettee, J.D.; Rickel, D. G.; Zvezdin, A. K.; Mukhin, A. A.; Lubashevsky, Ihor; Plis, V. I.; Popov, Alexander I.; Barbara, B.; Caneschi, A.; Gatteschi, Dante; Sessoli, Roberta

doi:10.1142/9789812702517_0042

Cited by 4 publications

(5 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This study is useful for theoretical undestanding of the intramolecular exchanges in Mn 12 . While considerable research effort has been focused in this area 17,42,[44][45][46][47] and a lot of valuable information has been obtained, a clear theoretical picture is still lacking.…”

Section: Electronic Structure Calculations and Intramolecular Excmentioning

confidence: 99%

Electronic structure of aMn12molecular magnet: Theory and experiment

et al. 2007

View full text Add to dashboard Cite

We used site-selective and element-specific resonant inelastic x-ray scattering ͑RIXS͒ to study the electronic structure and the electron interaction effects in the molecular magnet ͓Mn 12 O 12 ͑CH 3 COO͒ 16 ͑H 2 O͒ 4 ͔ · 2CH 3 COOH · 4H 2 O, and compared the experimental data with the results of local spin density approximation +U electron structure calculations which include the on-site Coulomb interactions. We found a good agreement between theory and experiment for the Coulomb repulsion parameter U = 4 eV. In particular, the p-d band separation of 1.8 eV has been found from the RIXS spectra, which is in accordance with the calculations. Similarly, the positions of the peaks in the XPS spectra agree with the calculated densities of p and d states. Using the results of the electronic structure calculations, we determined the intramolecular exchange parameters, and used them for diagonalization of the Mn 12 spin Hamiltonian. The calculated exchanges gave the correct ground state with the total spin S = 10.

show abstract

Section: Electronic Structure Calculations and Intramolecular Excmentioning

confidence: 99%

Electronic structure of aMn12molecular magnet: Theory and experiment

et al. 2007

View full text Add to dashboard Cite

show abstract

“…All the previous considerations 24,26,44 of the exchange interactions in Mn 12 were based on the localized Heisenberg model, assuming that the values of the magnetic moments and the exchange parameters do not depend on the spin arrangement of the molecule. To check the accuracy of this assumption, we have performed the calculations for the totally ferromagnetic spin configuration, when all manganese spins are directed up, using the parameters U = 8 eV and J = 0.9 eV.…”

Section: Intramolecular Exchange Interactionsmentioning

confidence: 99%

“…On the other hand, the internal magnetic and electronic structure of the Mn 12 molecules and the intramolecular interactions responsible for the formation of the molecule's collective spin have been studied in less detail. Several experiments including inelastic neutron scattering 23 , megagauss field magnetization measurements 24 , and optical absorption 25 have been performed to clarify the internal properties of the Mn 12 molecules. The experimental data have been analyzed within the spin-Hamiltonian approach 24,26 , however, the resulting information was not systematic, and often did not lead to unequivocal conclusions (see e.g.…”

Section: Introductionmentioning

confidence: 99%

“…Several experiments including inelastic neutron scattering 23 , megagauss field magnetization measurements 24 , and optical absorption 25 have been performed to clarify the internal properties of the Mn 12 molecules. The experimental data have been analyzed within the spin-Hamiltonian approach 24,26 , however, the resulting information was not systematic, and often did not lead to unequivocal conclusions (see e.g. the discus-sion of different parameter sets in Ref.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Effect of local Coulomb interactions on the electronic structure and exchange interactions inMn12magnetic molecules

et al. 2002

View full text Add to dashboard Cite

We have studied the effect of local Coulomb interactions on the electronic structure of the molecular magnet Mn 12 acetate within the LDAϩU approach. The account of the onsite repulsion results in a finite energy gap that is in a good agreement with the experimental results. The resulting magnetic moments and charge states of nonequivalent manganese ions agree very well with experiments. The calculated values of the intramolecular exchange parameters depend on the molecule's spin configuration, differing by 25-30% between the ferrimagnetic ground state and the completely ferromagnetic configurations. The values of the ground-state exchange coupling parameters are in reasonable agreement with the recent data on the magnetization jumps in megagauss magnetic fields. Simple estimates show that the obtained exchange parameters can be applied, at least qualitatively, to the description of the spin excitations in Mn 12 acetate.

show abstract

“…This model has been widely used to understand the experimental results. However, it is inadequate when trying to fully explain many of these results such as the neutron scattering [51], megagauss field magnetization [58,59,60], and optical absorption experiments [61], which reflect internal structure properties of the Mnl2-AC molecule. We also demonstrated in the chapter (4) that tunneling splitting calculations require the full Hilbert space that represents the …”

Section: Chapters Exchange Couplings For the Full Spin Modelmentioning

confidence: 99%

Spin models for the single molecular magnet Mn12-AC

Al-Saqer

View full text Add to dashboard Cite

NANO-SCALE FERRIMAGNET Mn₁₂Ac IN MEGAGAUSS MAGNETIC FIELD

Cited by 4 publications

References 0 publications

Electronic structure of aMn12molecular magnet: Theory and experiment

Electronic structure of aMn12molecular magnet: Theory and experiment

Effect of local Coulomb interactions on the electronic structure and exchange interactions inMn12magnetic molecules

Spin models for the single molecular magnet Mn12-AC

Contact Info

Product

Resources

About

NANO-SCALE FERRIMAGNET Mn12Ac IN MEGAGAUSS MAGNETIC FIELD

Cited by 4 publications

References 0 publications

Electronic structure of aMn12molecular magnet: Theory and experiment

Electronic structure of aMn12molecular magnet: Theory and experiment

Effect of local Coulomb interactions on the electronic structure and exchange interactions inMn12magnetic molecules

Spin models for the single molecular magnet Mn12-AC

Contact Info

Product

Resources

About

NANO-SCALE FERRIMAGNET Mn₁₂Ac IN MEGAGAUSS MAGNETIC FIELD