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          Institute: MPI für Chemische Physik fester Stoffe     Collection: publications 2013     Display Documents

ID: 668945.0, MPI für Chemische Physik fester Stoffe / publications 2013
Magnetization and spin dynamics of the spin S=1/2 hourglass nanomagnet Cu5(OH)2(NIPA)4•10H2O
Authors:Nath, R.; Tsirlin, A. A.; Khuntia, P.; Janson, O.; Förster, T.; Padmanabhan, M.; Li, J.; Skourski, Y.; Baenitz, M.; Rosner, H.; Rousochatzakis, I.
Date of Publication (YYYY-MM-DD):2013-06-14
Title of Journal:Physical Review B
Issue / Number:21
Start Page:214417-1
End Page:214417-8
Sequence Number of Article:214417
Review Status:not specified
Audience:Not Specified
Abstract / Description:We report a combined experimental and theoretical study of the spin S = 1/2 nanomagnet Cu-5(OH)(2)(NIPA)(4)center dot 10H(2)O (Cu-5-NIPA). Using thermodynamic, electron spin resonance, and H-1 nuclear magnetic resonance measurements on one hand, and ab initio density-functional band-structure calculations, exact diagonalizations, and a strong-coupling theory on the other, we derive a microscopic magnetic model of Cu-5-NIPA and characterize the spin dynamics of this system. The elementary fivefold Cu2+ unit features an hourglass structure of two corner-sharing scalene triangles related by inversion symmetry. Our microscopic Heisenberg model comprises one ferromagnetic and two antiferromagnetic exchange couplings in each triangle, stabilizing a single spin S = 1/2 doublet ground state (GS), with an exactly vanishing zero-field splitting (by Kramers' theorem), and a very large excitation gap of Delta similar or equal to 68 K. Thus, Cu-5-NIPA is a good candidate for achieving long electronic spin relaxation (T-1) and coherence (T-2) times at low temperatures, in analogy to other nanomagnets with low-spin GS's. Of particular interest is the strongly inhomogeneous distribution of the GS magnetic moment over the five Cu2+ spins. This is a purely quantum-mechanical effect since, despite the nonfrustrated nature of the magnetic couplings, the GS is far from the classical collinear ferrimagnetic configuration. Finally, Cu-5-NIPA is a rare example of a S = 1/2 nanomagnet showing an enhancement in the nuclear spin-lattice relaxation rate 1/T-1 at intermediate temperatures.
External Publication Status:published
Document Type:Article
Communicated by:Ina Werner
Affiliations:MPI für chemische Physik fester Stoffe
Identifiers:ISI:000320389600001 [ID No:1]
ISSN:1098-0121 [ID No:2]
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