Magnetic properties, x-ray absorption spectroscopy and electronic structure of GdCrTiO5

• Published in: Journal of alloys and compounds Vol. 724; pp. 67 - 73
• Main Authors: Guedes, E.B., Martins, H.P., Abbate, M., Masunaga, S.H., Ramirez, F.E.N., Jardim, R.F., Mossanek, R.J.O.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 15.11.2017; Elsevier BV
• Subjects: Antiferromagnetism; Charge density; Charge transfer; Density Functional Theory; Electronic structure; GdCrTiO5; Magnetic permeability; Magnetic properties; Magnetic susceptibility; Magnetism; Polycrystals; Rare earth elements; Specific heat; Trace elements; X-ray absorption; X-ray spectroscopy; GdCrTiO5; X-ray absorption; Density Functional Theory; Magnetic susceptibility
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/j.jallcom.2017.06.335

We study the electronic structure of GdCrTiO5 polycrystals by means of magnetic susceptibility and heat capacity measurements, as well as x-ray absorption spectroscopies on the Cr 2p, Ti 2p and O 1s levels. The experimental results were interpreted with Charge Transfer Multiplet and Density Functional Theory calculations. Magnetic susceptibility and specific heat measurements indicate a long-range antiferromagnetic ordering at 0.9 K probably related to the Gd sublattice. The results indicate that spin-orbit interaction, rather than hybridization, may be crucial for the stabilization of magnetic ordering in the RCrTiO5 (R = rare earth) family. •Indication of long-range antiferromagnetic ordering probably of the Gd sublattice.•Transition temperatures are smaller in GdCrTiO5 than in NdCrTiO5.•Calculated electronic structure of RCrTiO5 evidences weak R 4f-Cr 3d hybridization.•Gd carries higher (lower) spin (orbital) moment than Nd in RCrTiO5.•Spin-orbit interaction may help stabilize magnetic ordering in RCrTiO5.