Size effect in isometric PbTiO3 crystals

Gavrilyachenko, V. G.; Komarov, V. D.; Fesenko, E. G.; Leiderman, A. V.

doi:10.1134/1.1130568

Cited by 21 publications

(21 citation statements)

References 1 publication

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“…The calculated band gap and local magnetic moment are 1.6 eV and 0.89µ B /per Ti, respectively, slightly larger than experimental values (1.2 eV and 0.84µ B /per Ti) [42,43]. For PTO, the calculated polarization is 86.6 µC/cm 2 , which is close to the experimental value and previous theoretical value [27,31]. All these results guarantee the reliability of following calculations on superlattices.…”

Section: Resultssupporting

confidence: 83%

“…For a proof of the concept, YTiO 3 /PbTiO 3 (YTO/PTO) interface along the [001] direction will be studied as a model system. PTO is one of the most studied ferroelectric oxides with large polarization ∼ 75 − 80 µC/cm 2 [27][28][29][30][31][32][33]. Altough bulk YTO is FM, the YTO film grown on LAO substrate can easily become A-type AFM order [34].…”

Section: Introductionmentioning

confidence: 99%

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Ferroelectric control of spin-polarized two-dimensional electron gas

Weng,

Niu,

Huang

et al. 2021

Preprint

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Spin-polarized two-dimensional electron gas (2DEG) at oxide interfaces is an emerging physical phenomenon, which is technologically important for potential device applications. However, most previous relevant studies only focused on the creation and characterization of the spin-polarized 2DEG. To push forward the device applications, the control of spin-polarized 2DEG by electric field is an important step. Here, a model system based on antiferromagnetic and ferroelectric perovskites, i.e., YTiO3/PbTiO3 superlattice, is designed to manipulate the spin-polarized 2DEG. By switching the direction of polarization, the spin-polarized 2DEG can be effectively tuned for both symmetric interfaces and asymmetric polar interfaces.

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Section: Resultssupporting

confidence: 83%

Section: Introductionmentioning

confidence: 99%

Ferroelectric control of spin-polarized two-dimensional electron gas

Weng,

Niu,

Huang

et al. 2021

Preprint

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“…4b) typical of ferroelectric materials. The dielectric constant of this film reached 325, which is higher than reported values for bulk materials (210 perpendicular to and 120 along polarization direction [25,26]) and than values published by many authors for PTO films [8][9][10]. However, Kighelman et al measured dielectric constant higher than 300 [11].…”

Section: Electrical Propertiescontrasting

confidence: 45%

Ferroelectric PbTiO3 films grown by pulsed liquid injection MOCVD

Bartasyte

Bouregba²,

Dogheche

et al. 2007

Surface and Coatings Technology

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The influence of deposition conditions (pressure, growth rate, solution concentration, etc.) on the growth of ferroelectric PbTiO 3 (PTO) films by pulsed liquid injection MOCVD was examined. Pb(thd) 2 and Ti(O i Pr) 2 (thd) 2 (thd = 2,2,6,6-tetramethyl-3,5-heptanedionate) dissolved in toluene were used as precursors. Films were grown on LaAlO 3 (001) substrates for deposition process optimisation. PbTiO 3 /La 1-x Sr x MnO 3 /LaAlO 3 heterostructures were elaborated at optimized deposition conditions. The microstructure of the heterostructures was characterized by X-ray Diffraction and by Raman spectroscopy. Pt/PbTiO 3 /La 1-x Sr x MnO 3 /LaAlO 3 structures were used for ferroelectric, dielectric and piezoelectric characterisations of PTO films.

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“…We then discuss the calculated polarizations for PbTiO 3 and LiNbO 3 . For PbTiO 3 [see Table 1 and Figure 2(n)], a rigorous comparison with the experiment is more difficult since the measured values have significant uncertainties, ranging from 57 to 100 μC/cm 2 (e.g., 57, 63 75 64,65 , and 90~100 66 μC/cm 2 ). Nevertheless, a large value should be expected because both the Ti and Pb displacements contribute to the polarization.…”

Section: Ferroelectric Propertiesmentioning

confidence: 99%

Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA

et al. 2017

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Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of materials with an electric dipole that can be switched by external electric fields. Spontaneous polarization is a crucial ferroelectric property, and its amplitude is determined by the strength of polar structural distortions. Density functional theory (DFT) is one of the most widely used theoretical methods to study ferroelectric properties, yet it is limited by the levels of approximations in electron exchangecorrelation. On the one hand, the local density approximation (LDA) is considered to be more accurate for the conventional perovskite ferroelectrics such as BaTiO 3 and PbTiO 3 than the generalized gradient approximation (GGA), which suffers from the so-called super-tetragonality error. On the other hand, GGA is more suitable for hydrogen-bonded ferroelectrics than LDA, which largely overestimates the strength of hydrogen bonding in general. We show here that the recently developed general-purpose strongly constrained and appropriately normed (SCAN) meta-GGA functional significantly improves over the traditional LDA/GGA for structural, electric, and energetic properties of diversely-bonded ferroelectric materials with a comparable computational effort, and thus enhances largely the predictive power of DFT in studies of ferroelectric materials. We also address the observed system-dependent performances of LDA and GGA for ferroelectrics from a chemical bonding point of view.

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Size effect in isometric PbTiO3 crystals

Cited by 21 publications

References 1 publication

Ferroelectric control of spin-polarized two-dimensional electron gas

Ferroelectric control of spin-polarized two-dimensional electron gas

Ferroelectric PbTiO3 films grown by pulsed liquid injection MOCVD

Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA

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