Contribution of Co3+ ions to the high-temperature magnetic and electrical properties of GdCoO3

• Published in: Journal of experimental and theoretical physics Vol. 114; no. 5; pp. 841 - 849
• Main Authors: Dudnikov, V. A., Ovchinnikov, S. G., Orlov, Yu. S., Kazak, N. V., Michel, C. R., Patrin, G. S., Yurkin, G. Yu
• Format: Journal Article
• Language: English
• Published: Dordrecht SP MAIK Nauka/Interperiodica 01.05.2012
• Subjects: Classical and Quantum Gravitation; Electronic Properties of Solid; Elementary Particles; Particle and Nuclear Physics; Physics; Physics and Astronomy; Quantum Field Theory; Relativity Theory; Solid State Physics; Magnetic Susceptibility; Crystal Field; High Spin State; Spectral Weight; Spin Crossover
• ISSN: 1063-7761; 1090-6509
• DOI: 10.1134/S106377611203003X

The temperature dependence of the static magnetization of polycrystalline rare-earth cobaltite GdCoO 3 is measured in the temperature range 2–800 K. The magnetic behaviors of GdCoO 3 and Gd 3+ are found to be different at temperatures above room temperature, which is caused by the appearance of a contribution from Co 3+ ions at high temperatures. The temperature dependence of the magnetic susceptibility of GdCoO 3 is determined by the magnetization of rare-earth gadolinium ions and the additional paramagnetic contribution induced by the thermally excited magnetic terms of Co 3+ ions. The LDA + GTB method is used to calculate the electronic structure of GdCoO 3 in the temperature range 0–300 K with allowance for strong electron correlations. The energy spectrum of GdCoO 3 is found to have intragap states that decrease the dielectric gap width with increasing temperature.