000119784 001__ 119784 000119784 005__ 20230519145524.0 000119784 0247_ $$2doi$$a10.1103/PhysRevB.103.094445 000119784 0248_ $$2sideral$$a126654 000119784 037__ $$aART-2021-126654 000119784 041__ $$aeng 000119784 100__ $$aKazak N.V. 000119784 245__ $$aSpin state crossover in Co3BO5 000119784 260__ $$c2021 000119784 5060_ $$aAccess copy available to the general public$$fUnrestricted 000119784 5203_ $$aWe have investigated the spin and oxidation states of Co in Co3BO5 using x-ray magnetic circular dichroism (XMCD) and dc magnetic susceptibility measurements. At low temperatures, XMCD experiments have been performed at the Co K-edge in Co3BO5 and Co2FeBO5 single crystals in the fully ferrimagnetically ordered phase. The Co (K-edge) XMCD signal is found to be related to the Co2+ magnetic sublattices in both compounds, providing strong experimental support for the low-spin (LS) Co3+ scenario. The paramagnetic susceptibility is highly anisotropic. An estimation of the effective magnetic moment in the temperature range 100-250 K correlates well with two Co2+ ions in the high-spin (HS) state and some orbital contribution, while Co3+ remains in the LS state. The crystal structure of the Co3BO5 single crystal has been solved in detail at the T range 296-703 K. The unit cell parameters and volume show anomalies at 500 and 700 K. The octahedral environment of the Co4 site strongly changes with heating. The generalized gradient approximation with Hubbard U correction calculations have revealed that, at low-temperatures, the system is insulating with a band gap of 1.4 eV, and the Co2+ ions are in the HS state, while Co3+ are in the LS state. At high temperatures (T > 700 K), the charge ordering disappears, and the system becomes metallic with all Co ions in 3d7 electronic configuration and HS state. © 2021 American Physical Society. 000119784 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E12-20R$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2017-83468-R 000119784 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/ 000119784 592__ $$a1.537$$b2021 000119784 590__ $$a3.908$$b2021 000119784 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b163 / 345 = 0.472$$c2021$$dQ2$$eT2 000119784 591__ $$aPHYSICS, CONDENSED MATTER$$b23 / 69 = 0.333$$c2021$$dQ2$$eT2 000119784 594__ $$a6.9$$b2021 000119784 591__ $$aPHYSICS, APPLIED$$b52 / 161 = 0.323$$c2021$$dQ2$$eT1 000119784 593__ $$aCondensed Matter Physics$$c2021$$dQ1 000119784 593__ $$aElectronic, Optical and Magnetic Materials$$c2021$$dQ1 000119784 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion 000119784 700__ $$aPlatunov M.S. 000119784 700__ $$aKnyazev Y.V. 000119784 700__ $$aMolokeev M.S. 000119784 700__ $$aGorev M.V. 000119784 700__ $$aOvchinnikov S.G. 000119784 700__ $$aPchelkina Z.V. 000119784 700__ $$aGapontsev V.V. 000119784 700__ $$aStreltsov S.V. 000119784 700__ $$0(orcid)0000-0002-6517-1236$$aBartolomé J.$$uUniversidad de Zaragoza 000119784 700__ $$0(orcid)0000-0002-5999-341X$$aArauzo A.$$uUniversidad de Zaragoza 000119784 700__ $$aYumashev V.V. 000119784 700__ $$aGavrilkin S.Y. 000119784 700__ $$aWilhelm F. 000119784 700__ $$aRogalev A. 000119784 7102_ $$10$$2X$$aUniversidad de Zaragoza$$bServ.Gral. Apoyo Investigación$$cServicios. Div.Caract.Físi.Quí 000119784 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada 000119784 773__ $$g103, 9 (2021), 094445 [19 pp]$$pPhys. Rev. B$$tPhysical Review B$$x2469-9950 000119784 8564_ $$s1599626$$uhttps://zaguan.unizar.es/record/119784/files/texto_completo.pdf$$yPostprint 000119784 8564_ $$s2356547$$uhttps://zaguan.unizar.es/record/119784/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint 000119784 909CO $$ooai:zaguan.unizar.es:119784$$particulos$$pdriver 000119784 951__ $$a2023-05-18-15:25:10 000119784 980__ $$aARTICLE