Extracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites

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dc.creatorBarbiellini, B.
dc.creatorMijnarends, P. E.
dc.creatorKaprzyk, S.
dc.creatorBansil, A.
dc.creatorLi, Yinwan
dc.creatorMitchell, J. F.
dc.creatorMontano, P. A.
dc.date2005-05-18
dc.date.accessioned2026-07-07T08:35:34Z
dc.date.available2026-07-07T08:35:34Z
dc.descriptionWe consider the shape of the magnetic Compton profile (MCP), $J_{mag}(p_z)$, in La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$ for momentum transfer $p_z$ along the [110] direction and the associated reciprocal form factor $B(r)$ defined by taking the one-dimensional Fourier transform of $J_{mag}(p_z)$. $B(r)$ is shown to contain a prominent dip at $r\approx$ 1 $Å$, where the minimum value $B_{min}$ of $B(r)$ can be related to the occupancies of the $e_g$ orbitals of $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ symmetry in the system. We illustrate our procedure in detail by analyzing the measured MCP at 5K and the MCP computed within the framework of the local spin density approximation (LSDA) and comment on the differences between the measured and computed $e_g$ occupancies as a reflection of the limitations of the LSDA in treating electron correlation effects.
dc.description5 pages, 3 figures, to appear in J. Phys. Chem. Solids
dc.identifierhttps://arxiv.org/abs/cond-mat/0505435
dc.identifierhttp://arxiv.org/abs/cond-mat/0505435
dc.identifierJ. Phys. Chem. Solids 66, 2197 (2005)
dc.identifierdoi:10.1016/j.jpcs.2005.09.015
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/139788
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleExtracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites
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