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Spin and valence variation in cobalt doped barium strontium titanate ceramics
Guru Nanak Dev Univ, Dept Phys, Amritsar 143005, Punjab, India.;Global Grp Inst, Dept Appl Sci & Humanities, Amritsar 143501, Punjab, India..ORCID iD: 0000-0002-6147-4715
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. (Condensed Matter Theory Group)ORCID iD: 0000-0001-7246-8743
Univ Mons, Chim Interact Plasma Surface, Pl Parc 20, B-7000 Mons, Belgium..
Inter Univ Accelerator Ctr, Aruna Asaf Ali Marg, New Delhi 110067, India.;Univ Petr & Energy Studies UPES Dehradun, Dept Phys, Dehra Dun 248007, Uttarakhand, India.;Univ Petr & Energy Studies UPES Dehradun, Ctr Interdisciplinary Res, Dehra Dun 248007, Uttarakhand, India..
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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
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Condensed Matter Physics Materials Chemistry
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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: 18:4Available from: 2022-09-05 Created: 2022-09-05 Last updated: 2024-12-03Bibliographically approved

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Singh, Deobrat

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