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Sökning: WFRF:(Buga L)

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1.
  • Makarova, Tatiana L., et al. (författare)
  • Experimental realization of high spin states in dilutely hydrogenated fullerenes
  • 2009
  • Ingår i: Physica status solidi. B, Basic research. - : John Wiley & Sons. - 0370-1972 .- 1521-3951. ; 246:11-12, s. 2778-2781
  • Tidskriftsartikel (refereegranskat)abstract
    • A novel method for preparing dilutely hydrogenated fullerenes H:C60 is presented. DFT calculations of the Raman spectra at the B3LYP/3-21G level are compared with the experimental data. Under the laser treatment these phases form a rich variety of dimeric and polymeric structures, quite in contrast to pristine C60 which forms dimers and polymers bonded through the [2 + 2] addition, and in contrast to heavily hydrogenated fullerenes which do not polymerize at all. Dilutely hydrogenated fullerenes polymerize differently, forming both double bonded structures and single bonded dimers. We have shown that dilute hydrogenation of C60 creates large amount of unpaired spins which disappear due to the formation of diamagnetic single bonded dimers.
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2.
  • Makarova, Tatiana L., 1959-, et al. (författare)
  • Laser controlled magnetism in hydrogenated fullerene films
  • 2011
  • Ingår i: Journal of Applied Physics. - : AIP. - 0021-8979 .- 1089-7550. ; 109:8, s. 083941-7
  • Tidskriftsartikel (refereegranskat)abstract
    • Room temperature ferromagnetic-like behavior in fullerene photopolymerized films treated with monatomic hydrogen is reported. The hydrogen treatment controllably varies the paramagnetic spin concentration and laser induced polymerization transforms the paramagnetic phase to a ferromagnetic-like one. Excess laser irradiation destroys magnetic ordering, presumably due to structural changes, which was continuously monitored by Raman spectroscopy. We suggest an interpretation of the data based on first-principles density-functional spin-unrestricted calculations which show that the excess spin from mono-atomic hydrogen is delocalized within the host fullerene and the laser-induced polymerization promotes spin exchange interaction and spin alignment in the polymerized phase.
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  • Resultat 1-4 av 4

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