Carrier type change induced by fluorine doping in spin-chain compound Ca3Co2O6

Song, Jinlong; Zhao, Bangchuan; Huang, Yang; Qin, Yipeng; Zhou, Jiafeng; Song, Wenhai; Sun, Yan

doi:10.1039/c6ra25052a

Cited by 5 publications

(1 citation statement)

References 39 publications

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“…The peaks of 2p 1/2 and 2p 3/2 at 795.82 and 780.63 eV, respectively, is attributed to the existence of Co 3+ (S = 2) ion, while the peaks of 2p 1/2 and 2p 3/2 at 797.93 and 782.26 eV, respectively, is attributed to the existence of Co 2+ (S = 3/2) ion. Generally, the Co ions in both Co1 and Co2 sites are in the trivalent state; the presence of a small amount of Co 2+ ion is due to the oxygen non-stoichiometry in the sample [41]. Unlike the parent compound, additional valence state of Co ion (4+) has appeared for Mg substituted compound (figures 10(c) and (d)), which govern the related magnetic properties.…”

Section: Xps Analysismentioning

confidence: 99%

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca₃Co₂O₆

Bisht¹,

Pal²

2022

J. Phys.: Condens. Matter

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We have discovered spin-state transition (S = 2 to S = 5/2) of Co ions due to Mg substitution in the Ca3Co2O6 apparent in the magnetic susceptibility, XPS, and first-principles study. We also examine the effect of Mg substitution on the magnetic and electronic structure of Ca3Co2O6 by first- principles calculations. It involves generalized gradient approximation with Coulomb interaction (U) in exchange-correlation energy functional. Our study shows a reasonable agreement between effective magnetic moment (μef f ) determined from the Curie–Weiss fit with that from the XPS analysis and first-principles calculations study. We have attributed the decrease in positive intra-chain exchange interaction constant (J1/kB ) to the antiferromagnetically coupled induced Co4+ ions (S = 5/2) arising from the Mg2+ ions substitution. The in-field meta-magnetic transitions in the isothermal M(H) curves below the critical field (Hc ) have been accurately mapped and successfully explained by the change in magnetic entropy (ΔS) calculations and Arrott plots. Electronic structure study reveals hole-type doping of Mg atom, and the Fermi level (EF ) shifts below. Density of state and band structure calculation indicates strong hybridization between partial states of Co-3d and O-2p orbitals for the Mg-doped compound due to which the band crossing at Fermi level is observed, and a hole- type Fermi surface is formed.

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Section: Xps Analysismentioning

confidence: 99%

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca₃Co₂O₆

Bisht¹,

Pal²

2022

J. Phys.: Condens. Matter

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Structural, Magnetic and Magnetocaloric Properties of DyCoO3 Nanoparticles

et al. 2022

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Development of a Rock-Salt Structure for High Energy Density Lithium-Ion Batteries

Hong

Lee

Park

et al. 2023

Electron. Mater. Lett.

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Carrier type change induced by fluorine doping in spin-chain compound Ca₃Co₂O₆

Abstract: Temperature dependence of thermopower for Ca3Co2O6−xFx.

Cited by 5 publications

References 39 publications

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca₃Co₂O₆

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca₃Co₂O₆

Structural, Magnetic and Magnetocaloric Properties of DyCoO3 Nanoparticles

Development of a Rock-Salt Structure for High Energy Density Lithium-Ion Batteries

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Carrier type change induced by fluorine doping in spin-chain compound Ca3Co2O6

Abstract: Temperature dependence of thermopower for Ca3Co2O6−xFx.

Cited by 5 publications

References 39 publications

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca3Co2O6

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca3Co2O6

Structural, Magnetic and Magnetocaloric Properties of DyCoO3 Nanoparticles

Development of a Rock-Salt Structure for High Energy Density Lithium-Ion Batteries

Contact Info

Product

Resources

About

Carrier type change induced by fluorine doping in spin-chain compound Ca₃Co₂O₆

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca₃Co₂O₆

Spin-state transition of Co ion (S = 2 → S = 5/2) in hole substituted 1D chain of Ca₃Co₂O₆