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- W2080262359 abstract "Possible magnetism of small palladium clusters having cubic geometry has been studied using the Gaussian orbital basis and the local spin-density approximation. Extensive calculations have been done on ${mathrm{Pd}}_{19}$ clusters with face-centered-cubic symmetry by varying atomic spacing parameters. Possible magnetism of the ${mathrm{Pd}}_{15}$ cluster with body-centered-cubic symmetry has also been studied. Fixed moment calculations were done to find all possible metastable states of the cluster. In addition to a nonmagnetic state, the ${mathrm{Pd}}_{19}$ cluster is found to have a magnetic state with a moment of $0.32{ensuremath{mu}}_{B}.$ The two states are very close in total energy but the magnetic state has slightly lower total energy. The ${mathrm{Pd}}_{15}$ cluster is found to have only one magnetic state with a moment of $0.53{ensuremath{mu}}_{B}.$ From our calculations, we conclude that palladium clusters are very likely to be magnetic although the magnetic moment is very small." @default.
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- W2080262359 date "1998-08-01" @default.
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- W2080262359 title "Possible magnetism in small palladium clusters" @default.
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- W2080262359 doi "https://doi.org/10.1103/physrevb.58.2391" @default.
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