Spin density in YTiO 3 : I. Joint refinement of polarized neutron diffraction and magnetic x-ray diffraction data leading to insights into orbital ordering
| Autor: | Kibalin , I, Yan , Z., Voufack , A., Gueddida , S., Gillon , B., Gukasov , A., Porcher , F., Bataille , A, Morini , F., Claiser , N., Souhassou , M., Lecomte , C., Gillet , J.-M, Ito , M., Suzuki , K., Sakurai , H., Sakurai , Y., Hoffmann , C., Wang , X. |
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| Přispěvatelé: | Laboratoire Léon Brillouin (LLB - UMR 12), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), PNP NRC 'Kurchatov Institute', Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie du CNRS (INC)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Graduate School of Science and Technology, Japan Synchrotron Radiation Research Institute [Hyogo] (JASRI), Chemical and Engineering Materials Division, Laboratoire Léon Brillouin ( LLB - UMR 12 ), Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Université Paris-Saclay-Centre National de la Recherche Scientifique ( CNRS ), Cristallographie, Résonance Magnétique et Modélisations ( CRM2 ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Structures, Propriétés et Modélisation des solides ( SPMS ), CentraleSupélec-Centre National de la Recherche Scientifique ( CNRS ), Japan Synchrotron Radiation Research Institute, Kouto 1-1-1, Sayo, Hyogo 679-5148, Japan, affiliation inconnue, Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Saclay |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
[PHYS]Physics [physics]
[ PHYS ] Physics [physics] [ PHYS.COND.CM-MS ] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat] [ PHYS.COND ] Physics [physics]/Condensed Matter [cond-mat] |
| Zdroj: | Physical Review B: Condensed Matter and Materials Physics (1998-2015) Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (5), pp.54426-54426. ⟨10.1103/PhysRevB.96.054426⟩ Physical Review B : Condensed matter and materials physics Physical Review B : Condensed matter and materials physics, American Physical Society, 2017, 96 (5), pp.54426-54426. 〈10.1103/PhysRevB.96.054426〉 Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2017, 96 (5), pp.54426-54426. ⟨10.1103/PhysRevB.96.054426⟩ |
| ISSN: | 1098-0121 1550-235X 0163-1829 1095-3795 |
| DOI: | 10.1103/PhysRevB.96.054426⟩ |
| Popis: | International audience; Orbital ordering below 30 K was previously observed in the ferromagnetic YTiO 3 compound both by polarized neutron diffraction (PND) and x-ray magnetic diffraction (XMD). In this paper we report a procedure for the joint refinement of a unique spin-density model based on both PND and XMD data. The distribution of the unpaired 3d electron of titanium is clearly seen on the magnetization density reconstructed by the maximum entropy method from the PND data collection at 5 K. The Ti 3+ 3d orbital populations obtained by joint model refinement are discussed in terms of the orbital ordering scheme. Small but significant magnetic moments on apical oxygen O 1 and yttrium atoms are found. The agreement between experimental and theoretical spin densities obtained using density functional theory is discussed. |
| Databáze: | OpenAIRE |
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