Photoionization studies of manganese clusters: Ionization potentials for Mn7 to Mn64

Koretsky, Geoffrey M.; Knickelbein, Mark B.

doi:10.1063/1.473870

Cited by 40 publications

(29 citation statements)

References 38 publications

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“…For Mn 8 the experimental ionization energy is observed to be 4.91 eV. 27 We performed an SCF calculation on the positively charged Mn 8 cluster and find it to lie 5.49 eV above the neutral Mn 8 cluster. In contrast to the ionized Mn 7 cluster, the ionized Mn 8 cluster has an open minority spin shell with two electrons occupying three degenerate states.…”

Section: B the Larger Ferromagnetic Clusters: Mn 4 -Mnmentioning

confidence: 91%

Magnetic transition inMnn(n=2–8)clusters

1998

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Theoretical electronic structure studies on Mn n (nϭ2 -8) clusters have been carried out using a linearcombination-of-atomic-orbitals-molecular-orbital approach within the density-functional formalism. It is shown that Mn 2 and Mn 3 have energetically close ferromagnetic and antiferromagnetic or frustrated antiferromagnetic solutions. Mn 4 , Mn 5 , Mn 6 , Mn 7 , and Mn 8 are all ferromagnetic with moments of 20, 23, 26, 29, and 32 B . The appearance of ferromagnetic character is shown to be accompanied by bonding between minority d states. The relation between geometry and multiplicity and the possibility of closely spaced multiplet states are discussed.

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Section: B the Larger Ferromagnetic Clusters: Mn 4 -Mnmentioning

confidence: 91%

Magnetic transition inMnn(n=2–8)clusters

1998

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“…Manganese clusters were produced via pulsed laser vaporization of a cylindrical manganese target (99.99%, Ames Materials Preparation Center, Ames, Iowa 16 ) through which helium was flowed continuously. The laser vaporization source was coupled to a high aspect ratio flow tube ͑9 cm lengthϫ 0.3 cm diameter͒ held at 68± 2 K. 17 The residence time of the clusters within the flow tube ͑ϳ4 ms͒ was sufficient to ensure that they were equilibrated to the flow tube temperature prior to expansion into vacuum. 18 At the helium flow rates used ͑ϳ1000 sccm͒, the pressure within the flow tube was 10± 1 Torr.…”

Section: Experimental Methodsmentioning

confidence: 99%

“…Our previous photoionization studies 17 have suggested that Mn 13 may be produced in (at least) two isomeric forms, in which case the experimentally measured moment ͑ = 0.54± 0.06 b ͒ is an average value weighted according to the relative abundances of the isomers in the beamquantities that cannot be determined with high precision. Nayak, Nooijen, and Jena 51 found three isomers for Mn 13 : icosahedral (ground state, = 2.54 b per atom), hexagonallike (⌬E = + 0.05 eV, 1.31 b per atom), and cuboctahedral (⌬E = + 0.44 E, 0.39 b per atom).…”

Section: Mn 13mentioning

confidence: 99%

Magnetic ordering in manganese clusters

2004

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Isolated manganese clusters, Mn n , ͑n =5-22͒ are deflected by a linear-gradient magnetic field. Mn 7 -Mn 22 are found to deflect uniformly toward high field. The magnitude of the deflections indicate susceptibilities far in excess of those expected based on the susceptibility of bulk manganese, demonstrating that Mn clusters in this size range are magnetically ordered. Per-atom moments obtained from Curie's Law analysis range from 0.4 b ͑Mn 19 ͒ to 1.7 b ͑Mn 12 ͒. For Mn 5 and Mn 6 , symmetric broadening of the cluster beam is observed, and their moments were determined via line-shape analysis using both free-spin and adiabatic rotor models. The measured moments, interpreted in light of recent density functional theory calculations, suggest that Mn clusters in this size range are molecular ferrimagnets.

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“…On the experimental side, photoelectron spectra were obtained for Mn n − , n = 3-8, 24 and Mn 13 − , 25 whereas energies of electron detachment from neutral Mn n clusters have been measured 26 in the range 7 ≤ n ≤ 64. Stern-Gerlach experiments were performed for Mn n clusters in two ranges: 11 ≤ n ≤ 99 27 and 5 ≤ n ≤ 22.…”

Section: Introductionmentioning

confidence: 99%

Photoelectron spectra and structure of the Mnn− anions (n = 2–16)

Gutsev

Weatherford

Ramachandran

et al. 2015

The Journal of Chemical Physics

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Photoelectron spectra of the Mnn(-) anion clusters (n = 2-16) are obtained by anion photoelectron spectroscopy. The electronic and geometrical structures of the anions are computed using density functional theory with generalized gradient approximation and a basis set of triple-ζ quality. The electronic and geometrical structures of the neutral Mnn clusters have also been computed to estimate the adiabatic electron affinities. The average absolute difference between the computed and experimental vertical detachment energies of an extra electron is about 0.2 eV. Beginning with n = 6, all lowest total energy states of the Mnn(-) anions are ferrimagnetic with the spin multiplicities which do not exceed 8. The computed ionization energies of the neutral Mnn clusters are in good agreement with previously obtained experimental data. According to the results of our computations, the binding energies of Mn atoms are nearly independent on the cluster charge for n > 6 and possess prominent peaks at Mn13 and Mn13(-) in the neutral and anionic series, respectively. The density of states obtained from the results of our computations for the Mnn(-) anion clusters show the metallic character of the anion electronic structures.

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Photoionization studies of manganese clusters: Ionization potentials for Mn7 to Mn64

Cited by 40 publications

References 38 publications

Magnetic transition inMnn(n=2–8)clusters

Magnetic transition inMnn(n=2–8)clusters

Magnetic ordering in manganese clusters

Photoelectron spectra and structure of the Mnn− anions (n = 2–16)

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