Electron-hole and plasmon excitations in 3d transition metals: Ab initio calculations and inelastic x-ray scattering measurements

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dc.creatorGurtubay, I. G.
dc.creatorPitarke, J. M.
dc.creatorKu, Wei
dc.creatorEguiluz, A. G.
dc.creatorLarson, B. C.
dc.creatorTischler, J.
dc.creatorZschack, P.
dc.creatorFinkelstein, K. D.
dc.date2005-08-29
dc.date.accessioned2026-07-07T06:18:26Z
dc.date.available2026-07-07T06:18:26Z
dc.descriptionWe report extensive all-electron time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor of 3d transition metals. For small wave vectors, a plasmon peak is observed which is well described by our calculations. At large wave vectors, both theory and experiment exhibit characteristic low-energy electron-hole excitations of d character which correlate with the presence of d bands below and above the Fermi level. Our calculations, which have been carried out in the random-phase and adiabatic local-density approximations, are found to be in remarkable agreement with the measured dynamical structure factor of Sc and Cr at energies below the semicore onset energy (M-edge) of these materials.
dc.descriptionTo appear in Phys. Rev. B
dc.identifierhttps://arxiv.org/abs/cond-mat/0508677
dc.identifierhttp://arxiv.org/abs/cond-mat/0508677
dc.identifierPhys. Rev. B 72, 125117 (2005)
dc.identifierdoi:10.1103/PhysRevB.72.125117
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/94735
dc.subjectMaterials Science
dc.titleElectron-hole and plasmon excitations in 3d transition metals: Ab initio calculations and inelastic x-ray scattering measurements
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