LAUSR

Abstract The magnetic, dielectric and structural properties of a double perovskite oxide Nd2CoTiO6 (NCTO), synthesized by solid state reaction method, have been studied. The Rietveld refinement of the room temperature neutron diffraction (ND) pattern specifies that the crystal structure of NCTO is monoclinic with space group P21/n, which contains an ordered array of alternate CoO6 and TiO6 octahedra. Magnetization measurements, carried out from room temperature to 2 K indicate a transition at ∼17 K. The rise of magnetization sharply below ∼17 K is attributed to the magnetic ordering of Nd3+ ions. Ac susceptibility data recorded in the range 70 K–5 K ruled out the presence of spin glass behavior in NCTO. To confirm the nature of magnetic ordering, temperature-dependent ND measurements were carried out and the analysis of ND data recorded at 15 K and 3 K shows the presence of canted antiferromagnetic spin structure of NCTO at low temperatures. Thermal variation of dielectric permittivity shows an anomaly at ∼720 K. First principles density functional theory (DFT) has been invoked to determine the band structure of the sample. The electronic structure has also been extensively investigated to correlate different observed properties of the sample.