Theoretical estimates for proton-NMR spin–lattice relaxation rates of heterometallic spin rings

Allalen, Mohammed; Schnack, Jürgen

doi:10.1016/j.jmmm.2005.09.006

Cited by 9 publications

(4 citation statements)

References 31 publications

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“…Exploiting the Moriya formula [17], the proton NMR 1=T 1 can be evaluated in absolute units using as inputs the positions of the Cr and Ni ions and of the hydrogens of the molecule (see also Refs. [18,19]) probed by NMR. The occurrence of a peak in the proton NMR 1=T 1 has been clearly explained in homonuclear ring-shaped molecules with small anisotropy such as Cr 8 [14].…”

Section: Spin Dynamics In Cr 7 Nimentioning

confidence: 99%

Magnetization and spin dynamics of a Cr-based magnetic cluster:

Bianchi¹,

Carretta²,

Santini³

et al. 2010

Journal of Magnetism and Magnetic Materials

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Section: Spin Dynamics In Cr 7 Nimentioning

confidence: 99%

Magnetization and spin dynamics of a Cr-based magnetic cluster:

Bianchi¹,

Carretta²,

Santini³

et al. 2010

Journal of Magnetism and Magnetic Materials

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“…Motivated by these experimental findings, theoreticians have been able to reproduce, with models based on spin Hamiltonians [9][10][11][12] or by parameter-free first principles calculations, [13][14][15] the magnetic properties of several molecules belonging to the family. Combined experimental and theoretical investigations lead to the conclusion that both close-and open-ring-shaped molecules are good prototypes of one-dimensional ͑1D͒ magnets.…”

Section: And 8͒mentioning

confidence: 99%

Ab initiostudy on a chain model of theCr8molecular magnet

Tomecka

Bellini

Troiani³

et al. 2008

Phys. Rev. B

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We present a density-functional theory investigation of the electronic and magnetic properties of a linear chain model of the antiferromagnetic Cr 8 molecular ring. The chain model system is characterized by a smaller size of the simulation cell needed to perform the calculations, with respect to the one necessary for Cr 8 . By the thorough comparison between the model complex and the Cr 8 ring, we prove that the chain model is reliable and mimics with good approximation the electronic and magnetic properties of Cr 8 .

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“…paramagnetic ions) has attracted a great deal of interest since they provide emblematic examples of systems where spin frustration effects due to quantum magnetism play a major role. Moreover, they have been sinthesized and studied experimentally [1,2,3,4,5]. Specifically, we shall concentrate on the anomalous magnetic properties in some heterometallic odd spin rings [6,7,8,9] namely, chromium rings.…”

Section: Introductionmentioning

confidence: 99%

Valence bond solid state induced by impurity frustration inCr8Ni

2009

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We provide a physically meaningful picture of the nature of the ground state of the Cr8Ni compound in the regime where it is a spin singlet. According to this picture, the anisotropy of the N i atom in the Cr ring induces a dimerization in the molecule that makes the ground state to stabilize in a Valence Bond Solid phase of virtual spins. We characterize rigorously this phase by means of a particular non-local order parameter denoted the generalized string order parameter. In the completely antiferromagnetic regime, the system becomes frustrated. We have performed a numerical real-time evolution study of the correlations between the spin of the N i impurity and the rest of the spins in order to show the reaction of the system under this frustration. We provide results that manifestly show the agreement with the Valence Bond Solid picture introduced.

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Theoretical estimates for proton-NMR spin–lattice relaxation rates of heterometallic spin rings

Cited by 9 publications

References 31 publications

Magnetization and spin dynamics of a Cr-based magnetic cluster:

Magnetization and spin dynamics of a Cr-based magnetic cluster:

Ab initiostudy on a chain model of theCr8molecular magnet

Valence bond solid state induced by impurity frustration inCr8Ni

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