Iron-oxygen vacancy defect association in polycrystalline iron-modified<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Pb</mml:mi><mml:mi mathvariant="normal">Zr</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis

Meštrić, Hrvoje; Eichel, Rüdiger‐A.; Dinse, Klaus−Peter; Ozarowski, Andrew; Tol, Johan van; Brunel, Louis Claude; Kungl, Hans; Hoffmann, Michael J.; Schönau, Kristin A.; Knapp, Michael; Fueß, H.

doi:10.1103/physrevb.73.184105

Cited by 51 publications

(25 citation statements)

References 69 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In analogy to the impact of ionicity, the increase in (isotropic) copper hyperfine coupling can be attributed to an additional oxygen ion in the first coordination sphere to which spin density is transferred, reducing the remaining spin density at the copper nucleus. This observation corresponds well with an expectation taking into account an enhanced corepolarization κ owing to a missing oxygen ion in the octahedron, which reduces the value for A Cu according to equation (6). 3 ) for Bi-containing ferroelectrics.…”

Section: ••supporting

confidence: 89%

“…and κ = 0.32. The terms of order λ Δ in equations (6,7) are partly due to residual orbital contribution and partly owing to the admixture of higher states by spin-orbit coupling.…”

Section: −3mentioning

confidence: 99%

“…first coordination sphere, where the increased hyperfine splitting is explained by reduced transferred spin density to neighboring oxygens and enhanced core-polarization κ reducing A Cu according to equation (6).…”

Section: ••mentioning

confidence: 99%

See 2 more Smart Citations

Defect structure and formation of defect complexes in Cu²⁺-modified metal oxides derived from a spin-Hamiltonian parameter analysis

et al. 2009

Self Cite

View full text Add to dashboard Cite

HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés. Defect structure and formation of defect complexes inCu2+-modified metal oxides derived from a spin-Hamiltonian parameter analysis Rüdiger EichelTo cite this version:Rüdiger Eichel. Defect structure and formation of defect complexes in Cu2+-modified metal oxides derived from a spin-Hamiltonian parameter analysis. The nearest neighbor oxygen octahedron about copper functional centers in metal oxides has been systematically studied by means of electron paramagnetic resonance (EPR) spectroscopy. In particular, the determined g ,zz and A Cu ,zz spin-Hamiltonian parameters were analyzed, finding linear dependences as function of chemical bonding and local distortion of the oxygen octahedron. Moreover, through the introduction of a dimensionless coordination parameter ξ, different defect structures with respect to the number of coordinated oxygen vacancies may be distinguished. This allows for a distinct assignment of defect complexes between the copper functional center with one or two oxygen vacancies.

show abstract

Section: ••supporting

confidence: 89%

“…and κ = 0.32. The terms of order λ Δ in equations (6,7) are partly due to residual orbital contribution and partly owing to the admixture of higher states by spin-orbit coupling.…”

Section: −3mentioning

confidence: 99%

See 1 more Smart Citation

Defect structure and formation of defect complexes in Cu²⁺-modified metal oxides derived from a spin-Hamiltonian parameter analysis

et al. 2009

Self Cite

View full text Add to dashboard Cite

show abstract

“…31,32 Mestric et al 33 considered the presence of six positions for an oxygen vacancy in ZrO 6 . It could not be proven experimentally that only six distinct centers are involved.…”

Section: Resultsmentioning

confidence: 99%

The role of oxygen vacancy in the photoluminescence property at room temperature of the CaTiO3

Milanez¹,

Figueiredo²,

Lázaro³

et al. 2009

Journal of Applied Physics

View full text Add to dashboard Cite

In this paper, electron paramagnetic resonance, photoluminescence ͑PL͒ emission, and quantum mechanical calculations were used to observe and understand the structural order-disorder of CaTiO 3 , paying special attention to the role of oxygen vacancy. The PL phenomenon at room temperature of CaTiO 3 is directly influenced by the presence of oxygen vacancies that yield structural order-disorder. These oxygen vacancies bonded at Ti and/or Ca induce new electronic states inside the band gap. Ordered and disordered CaTiO 3 was obtained by the polymeric precursor method.

show abstract

“…For Fe 3+ -modified lead zirconate EPR has detected a considerably reduced FS splitting as compared to Fe 3+ -doped PbTiO 3 [48]. The corresponding EPR spectra are depicted in Fig.…”

Section: Acceptor Dopantsmentioning

confidence: 95%

Defect structure of oxide ferroelectrics—valence state, site of incorporation, mechanisms of charge compensation and internal bias fields

2007

Self Cite

View full text Add to dashboard Cite

The defect structure of aliovalent transitionmetal and rare-earth functional centers in ferroelectric perovskite oxides is characterized by means of multifrequency electron paramagnetic resonance spectroscopy, assisted by density-functional theory calculations. The review is mainly focused on lead zirconate titanate (Pb[Zr x Ti 1−x ]O 3 , PZT) compounds. However, where available also results on ferroelectric 'lead-free' compounds are discussed. The results include the formation of charged (Fe Zr,Ti − V •• O ) • defect dipoles, causing internal bias fields, multivalence manganese centers, acceptor-type copper functional centers creating isolated oxygen vacancies that promote ionic conductivity, as well as Gd • Pb donor-type centers. Moreover, the impact of the defect structure on macroscopic material properties is discussed.

show abstract

Iron-oxygen vacancy defect association in polycrystalline iron-modifiedPbZrO3antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis

Cited by 51 publications

References 69 publications

Defect structure and formation of defect complexes in Cu²⁺-modified metal oxides derived from a spin-Hamiltonian parameter analysis

Defect structure and formation of defect complexes in Cu²⁺-modified metal oxides derived from a spin-Hamiltonian parameter analysis

The role of oxygen vacancy in the photoluminescence property at room temperature of the CaTiO3

Defect structure of oxide ferroelectrics—valence state, site of incorporation, mechanisms of charge compensation and internal bias fields

Contact Info

Product

Resources

About