Spin and valence variation in cobalt doped barium strontium titanate ceramicsShow others and affiliations
2022 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 24, no 33, p. 19865-19881Article in journal (Refereed) Published
Abstract [en]
In the present decade, owing to half-metallic ferromagnetism, controlled 3d transition metal-doping based defect engineering in oxide perovskites attracts considerable attention in the pursuit of spintronics. We aim to investigate the electronic structure of Co-doped barium strontium titanate (Ba0.8Sr0.2CoxTi1-xO3 where x = 0, 0.1, 0.2) solid solution. Structural, vibrational and microscopic properties indicate the cationic substitution of Co at the octahedral Ti position along with a displacive kind of tetragonal-to-cubic phase transformation. X-ray photoelectron spectroscopy evidences the reduction in the valence state from Co3+ to Co2+ and Ti K edge X-ray absorption spectroscopy endorses the higher lattice symmetry with increasing Co doping. Orbital hybridization triggered electron hopping between O 2p and Co e(g) orbitals results in a spin fluctuation from the occupation t6(2g)g(e0) for x = 0.1 to the occupation t6(g)(2ge1)L for x = 0.20 (L designates a hole in the O 2p shell) aligned state observed from density functional theory calculations. The dominating crystal field energy as compared to intra-atomic exchange (Hund) energy decides the spin-orbital degeneracy for the Co 3d orbital to induce spin fluctuations.
Place, publisher, year, edition, pages
Royal Society of Chemistry (RSC) Royal Society of Chemistry, 2022. Vol. 24, no 33, p. 19865-19881
National Category
Condensed Matter Physics Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-483876DOI: 10.1039/d2cp01561gISI: 000839598700001PubMedID: 35959729OAI: oai:DiVA.org:uu-483876DiVA, id: diva2:1693077
Funder
Swedish Research Council, VR-2016-06014Olle Engkvists stiftelse, 198-0390Carl Tryggers foundation , CTS: 18:42022-09-052022-09-052024-12-03Bibliographically approved