Lattice constant of strontium titanate at low temperatures

Okazaki, Atsushi; Kawaminami, Masaru

doi:10.1016/0025-5408(73)90130-x

Cited by 126 publications

(76 citation statements)

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“…The c-T curve is almost linear above T c , but as the temperature falls down, the lattice parameter splits at T c because of domain formation and thus lattice relaxation. 19 However, there is no change in the profile of c-T curve in the measured temperature range in our STO films. This observation is consistent with that reported by He et al 12 It may be related to the substrate clamping effect rather than the lattice strain.…”

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confidence: 62%

Strain distribution in epitaxial SrTiO3 thin films

Zhai

Jiang

et al. 2006

Applied Physics Letters

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The lattice strain distributions of epitaxial SrTiO 3 films deposited on LaAlO 3 were investigated by in situ x-ray diffraction at the temperature range of 25-300 K, grazing incident x-ray diffraction, and high resolution x-ray diffraction. The nearly linear temperature dependence of the out-of-plane lattice constant of SrTiO 3 was observed in the measured temperature range. The depth distribution of the lattice strain at room temperature for SrTiO 3 films includes the surface layer, strained layer, and interface layer. © 2006 American Institute of Physics. ͓DOI: 10.1063/1.2424282͔ SrTiO 3 ͑STO͒ is an incipient ferroelectric material in perovskite structure, which has been extensively studied for its application in tunable microwave devices for having a large and variable dielectric constant. 1,2 STO is also a perfect prototype to investigate phase transition, 3 especially to understand the surface and interface structural configuration for the perovskite films grown on it. 4 Although ferroelectric properties were only reported through oxygen isotope exchange ͑ST 18 O͒, 3,5 and cation substitution, 6,7 recent theories and experiments validate the existence of ferroeletricity in STO thin films under strain. [8][9][10] He et al. [11][12][13] systematically studied the structural phase transition of STO thin films under strain. Devonshire 14 predicted the shift of the ferroelectric phase transition temperature ͑T c ͒ for STO thin films due to the biaxial strain. Haeni et al. 10 reported that the room temperature ferroelectricity appears for the tensile strained STO thin films on DyScO 3 substrates, although STO crystal is incipient ferroelectric. There is little work on the observation of distribution of lattice strain along the normal of sample surface for STO thin films.In this letter, the distribution of the lattice strain of the epitaxial STO films grown on LaAlO 3 ͑LAO͒ ͑001͒ substrate by laser molecular beam epitaxy ͑MBE͒ deposition ͑L-MBE͒ is investigated. The temperature dependence of the c-direction lattice constant ͑c-T curve͒ is nearly linear, which is different from that of the bulk. The depth dependence of the lattice strain is not homogeneous, which may be due to the competition between the elastic restore and the lattice mismatch between STO film and LAO substrate.STO films were grown on LAO ͑001͒ single crystal substrate in a L-MBE system. The technique was used to deposit STO on Si in our previous studies. 15,16 Briefly, a single crystal STO target was used to grow STO film. A KrF excimer laser was used in a repetition rate of 2 Hz. The substrate was heated to 770°C. The film thicknesses were 80, 150, and 280 nm from the measurement of a Dektax 3 ST surface profile. X-ray diffraction ͑XRD͒ ͑Cu K␣ radiation͒ analysis was performed using the /2 scan mode on a Rigaku Dmax-rB and a Bruker Advanced D8 X-ray diffractometer. The depth dependence of strain, which is related to the film thickness, was determined by grazing incident x-ray diffraction ͑surface x-ray diffraction͒, which was carried out on Be...

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confidence: 62%

Strain distribution in epitaxial SrTiO3 thin films

Zhai

Jiang

et al. 2006

Applied Physics Letters

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“…In Fig. 2, we present the refined lattice parameters as a function of temperature for EuTiO 3 together with x-ray diffraction data obtained for SrTiO 3 , 21 where a reduced tetragonal cell metric was used for comparison purposes between the cubic and tetragonal phases in the two systems. Figure 2 clearly shows similarities between EuTiO 3 and SrTiO 3 .…”

Section: Rietveld Analysismentioning

confidence: 99%

Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO3

et al. 2012

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Up to now, the crystallographic structure of the magnetoelectric perovskite EuTiO 3 has been considered to remain cubic down to low temperature. Here we present high-resolution synchrotron x-ray powder-diffraction data showing the existence of a structural phase transition, from cubic P m-3m to tetragonal I 4/mcm, involving TiO 6 octahedra tilting, in analogy to the case of SrTiO 3 . The temperature evolution of the tilting angle and of the full width at half maximum of the (200) cubic reflection family indicate a critical temperature T c = 235 K. This critical temperature is well below the recent anomaly reported by specific-heat measurement at T A ∼ 282 K. By performing atomic pair distribution function analysis on diffraction data, we provide evidence of a mismatch between the local (short-range) and the average crystallographic structures in this material. Below the estimated T c , the average model symmetry is fully compatible with the local environment distortion, but the former is characterized by a reduced value of the tilting angle compared to the latter. At T = 240 K, data show the presence of local octahedra tilting identical to the low-temperature one, while the average crystallographic structure remains cubic. On this basis, we propose that intrinsic lattice disorder is of fundamental importance in the understanding of EuTiO 3 properties.

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“…These parameters led to a bulk lattice parameter of 3.901 Å and an enthalpy of formation of À16.53 eV, which are in close agreement with experiment. [36][37][38] Furthermore, HSE06 also improves the over delocalization of electronic charge that is common for traditional functionals. 39 The formation energy of a point defect D in charge state q is determined by the following equation:…”

Section: à3mentioning

confidence: 99%

Defect mechanisms of coloration in Fe-doped SrTiO3 from first principles

Baker

Bowes

Long

et al. 2017

Applied Physics Letters

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To understand the underlying defect mechanisms governing the coloration of Fe-doped SrTiO3 (Fe:STO), density functional theory calculations were used to determine defect formation energies and to interpret optical absorption spectra. A grand canonical defect equilibrium model was developed using the calculated formation energies, which enabled connection to annealing experiments. It was found that FeTi0 is stable in oxidizing conditions and leads to the optical absorption signatures in oxidized Fe:STO, consistent with experiment. Fe:STO was found to transition from brown to transparent as PO2 was reduced during annealing. The defect equilibrium model reproduces a consistent PO2 of this coloration transition. Most critical to reproducing the PO2 of the coloration transition was inclusion of a FeTi-VO first nearest neighbor complex, which was found to be strongly interacting. The coloration transition PO2 was found to be insensitive to the presence of minority background impurities, slightly sensitive to Fe content, and more sensitive to annealing temperature.

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Lattice constant of strontium titanate at low temperatures

Cited by 126 publications

References 4 publications

Strain distribution in epitaxial SrTiO3 thin films

Strain distribution in epitaxial SrTiO3 thin films

Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO3

Defect mechanisms of coloration in Fe-doped SrTiO3 from first principles

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