Electronic and dielectric properties of Ruddlesden–Popper type and Magnéli type SrTiO3

Guan, Li; Li, Mingjun; Li, Xu; Feng, Lihua; Teng, Feng; Liu, Baoting; Zhi-ren, Wei; Musgrave, Charles B.

doi:10.1016/j.commatsci.2014.09.026

Cited by 17 publications

(9 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…At the same time, the dielectric constant increases through the series from n = 1 to SrTiO 3 : from approx. 44 to 263 in the static case , with the same trend found for the dielectric function in the optical range .…”

Section: Sro Excess and Ruddlesden‐popper Phasessupporting

confidence: 72%

“…The RP phases exhibit a monotonically decreasing band gap with increasing n : from approx. 3.5 eV for n = 1 to 3.2 eV for SrTiO 3 . At the same time, the dielectric constant increases through the series from n = 1 to SrTiO 3 : from approx.…”

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 87%

“…Structural stability as well as electronic, microscopic and elastic properties of SrTiO 3 ‐ and SrO‐based layered compounds have been theoretically studied within the last decade . Various atomistic simulations, Hartree‐Fock and density functional theory (DFT) calculations are available for RP phases with n ≤ 3, but the stability of the phases has been discussed controversially so far, with respect to both the tendency within the homologous series and their absolute formation energies .…”

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

See 2 more Smart Citations

Strontium titanate: From symmetry changes to functionality

Stöcker

Hanzig

Zschornak

et al. 2016

Crystal Research and Technology

View full text Add to dashboard Cite

Pure strontium titanate exhibits a cubic perovskite-type structure at room temperature, but many approaches to break this high degree of symmetry are accessible. The present review summarizes some possible methods by discussing the effects of stoichiometry variation, ion implantation, temperature treatment and external electric fields. Since oxygen vacancies are the most prominent and most mobile defect species in strontium titanate, they play a crucial role also for structural changes due to external influences. Possible functionalities range from tuning of permittivity, band gap and conductivity to field-induced structure changes, which lead to applications as solid-state battery or switchable pyroelectric.

show abstract

Section: Sro Excess and Ruddlesden‐popper Phasessupporting

confidence: 72%

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 87%

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

See 1 more Smart Citation

Strontium titanate: From symmetry changes to functionality

Stöcker

Hanzig

Zschornak

et al. 2016

Crystal Research and Technology

View full text Add to dashboard Cite

show abstract

“…In the case of BaTiO 3 , theoretical and experimental reports confirm that oxygen vacancies (ionic conduction) are responsible for the observed conducting behavior up to the Curie temperature in nonstoichiometric samples for high oxygen partial pressures . Nonstoichiometric chemical compositions, with either excess SrO or TiO 2 , are used in the fabrication of SrTiO 3 , increasing the concentration of oxygen vacancies .…”

Section: Resultsmentioning

confidence: 90%

“…Furthermore, it must also be mentioned that these mixed mechanisms, and indeed the original ones, do not take into account secondary phase formation. For example, the formation of SrO‐rich Ruddlesden–Popper or TiO 2 ‐rich Magnéli phases is possibly more favorable than the formation of individual end members and SrTiO 3 . However, to the best of our knowledge, this has not been considered even for the simple incorporation mechanisms and is therefore beyond the scope of this work.…”

Section: Methodsmentioning

confidence: 99%

Oxygen vacancy generation in rare‐earth‐doped SrTiO₃

Zulueta

Dawson

Muné

et al. 2016

Physica Status Solidi (b)

View full text Add to dashboard Cite

Calculations of the energetics of rare‐earth incorporation in SrTiO3 and other perovskite materials using classical potential models are widely featured in the literature. However, the standard incorporation mechanisms are often simplified and many do not account for the generation of oxygen vacancies. In this work, we use two mixed defect schemes that account for the introduction of rare‐earth dopants at both the A‐ and B‐sites of the perovskite structure and oxygen vacancies. An overall assessment of rare‐earth doping in SrTiO3 using the standard dopant incorporation modes with respect to dopant ionic radii is also given. Although the energies for our proposed mixed mechanisms are somewhat higher than the energies for the standard mechanisms, they are more realistic when compared to real samples, as they incorporate a range of different intrinsic defects, unlike the idealized standard schemes. Strong binding energies are reported throughout, in agreement with previous studies. A comparative study of these mixed schemes in BaTiO3 and SrTiO3 reveals that they are more likely to be active in BaTiO3.

show abstract