Surface modeling and chemical solution deposition of SrO(SrTiO3)  Ruddlesden–Popper phases

Zschornak, Matthias; Gemming, Sibylle; Gutmann, Emanuel; Weißbach, Torsten; Stöcker, Hartmut; Leisegang, Tilmann; Riedl, Thomas; Tränkner, Mario; Gemming, Thomas; Meyer, Dirk C.

doi:10.1016/j.actamat.2010.04.035

Cited by 20 publications

(19 citation statements)

References 84 publications

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“…They confirm the trends obtained in calculations by Le Bacq et al. and explain the experimental observations that the RP phases with n = 2 and n = 3 occur preferentially at higher heating rates . Because of the plateau for RP phases with n > 3, the maximum range of interaction between two neighboring stacking faults can be estimated to about 12 Å.…”

Section: Sro Excess and Ruddlesden‐popper Phasessupporting

confidence: 90%

“…Further, they exhibit a strong anisotropy of the dielectric response due to the ordered array of SrO (001) excess planes . Experimental studies of such ordered stacking faults by high‐resolution transmission electron microscopy and X‐ray diffraction have been reported .…”

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

“…Besides ceramic bulk materials or small anisotropic crystals the availability of RP phases in the form of thin films is of particular importance for technical applications. In this context we have reported on the oriented growth of SrO(SrTiO 3 ) n thin films by chemical solution deposition . The applied approach is based on a modified Pechini route, which has been proven to be a feasible low‐temperature method for the preparation of RP phases .…”

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

“…Calculated energies for the formation of RP phases, after . The integration of the SrO stacking fault into SrTiO 3 shows exothermic character for all phases and saturates at n = 3.…”

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

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Strontium titanate: From symmetry changes to functionality

Stöcker

Hanzig

Zschornak

et al. 2016

Crystal Research and Technology

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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.

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Section: Sro Excess and Ruddlesden‐popper Phasessupporting

confidence: 90%

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

“…Calculated energies for the formation of RP phases, after . The integration of the SrO stacking fault into SrTiO 3 shows exothermic character for all phases and saturates at n = 3.…”

Section: Sro Excess and Ruddlesden‐popper Phasesmentioning

confidence: 99%

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Strontium titanate: From symmetry changes to functionality

Stöcker

Hanzig

Zschornak

et al. 2016

Crystal Research and Technology

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“…The presented considerations may give rise to optimization of pair potentials beyond the scope of the Standard Morse Potential, which is widely used, e.g., in Molecular Dynamic Simulations [33] and Bond Valence Methods [34]. Enhanced potentials with a broad flexibility, which can be determined from structural data of large structure databases like the ICSD [35], may then present a convenient way to tackle free internal parameters in structure determination, without computationally expensive quantum-electronic calculations like density functional theory (DFT, see e.g., [36]) or modern synchrotron methods like Resonant X-ray Diffraction [37,38]. Table 2.…”

Section: Stability Of Unary Structuresmentioning

confidence: 99%

Harmonic Principles of Elemental Crystals—From Atomic Interaction to Fundamental Symmetry

et al. 2018

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The formation of crystals and symmetry on the atomic scale has persistently attracted scientists through the ages. The structure itself and its subtle dependence on boundary conditions is a reflection of three principles: atomic attraction, repulsion, and the limitations in 3D space. This involves a competition between simplicity and high symmetry on the one hand and necessary structural complexity on the other. This work presents a simple atomistic crystal growth model derived for equivalent atoms and a pair potential. It highlights fundamental concepts, most prominently provided by a maximum number of equilibrium distances in the atom's local vicinity, to obtain high symmetric structural motifs, among them the Platonic Solids. In this respect, the harmonically balanced interaction during the atomistic nucleation process may be regarded as origin of symmetry. The minimization of total energy is generalized for 3D periodic structures constituting these motifs. In dependence on the pair potential's short-and long-range characteristics the, by symmetry, rigid lattices relax isotropically within the potential well. The first few coordination shells with lattice-specific fixed distances do not necessarily determine which equilibrium symmetry prevails. A phase diagram calculated on the basis of these few assumptions summarizes stable regions of close-packed fcc and hcp, next to bcc symmetry for predominantly soft short-range and hard long-range interaction. This lattice symmetry, which is evident for alkali metals as well as transition metals of the vanadium and chromium group, cannot be obtained from classical Morse or Lennard-Jones type potentials, but needs the range flexibility within the pair potential.

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Metastability at Defective Metal Oxide Interfaces and Nanoconfined Structures

Esposito

Castelli

2020

Adv Materials Inter

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Surface modeling and chemical solution deposition of SrO(SrTiO3) Ruddlesden–Popper phases

Cited by 20 publications

References 84 publications

Strontium titanate: From symmetry changes to functionality

Strontium titanate: From symmetry changes to functionality

Harmonic Principles of Elemental Crystals—From Atomic Interaction to Fundamental Symmetry

Metastability at Defective Metal Oxide Interfaces and Nanoconfined Structures

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