Properties of (001) 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">NaNbO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
 films under epitaxial strain: A first-principles study

Patel, Kinnary; Prosandeev, Sergey; Xu, Bin; Xu, Changsong; Bellaïche, L.

doi:10.1103/physrevb.103.094103

Cited by 15 publications

(16 citation statements)

References 44 publications

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“…4(c) and (d). One should note here, that in the theoretical work of Patel et al [43] only the "yellow"-type epitaxial contact has been considered, whereas the "pink" one has been overlooked.…”

Section: Discussionmentioning

confidence: 98%

“…It is reasonable to look for the candidates for the phases of NaNbO 3 observed at room and elevated temperatures in this work among those found in the bulk form of NNO or the phases related to them. The influence of epitaxial strain in (001)NaNbO 3 films has been studied using the DFT method in the recent work by Patel et al [43]. Their results indicate that at compressive strains and tensile strains up to ≈ 1.27% the monoclinically distorted N phase having the Cc symmetry is stabilized.…”

Section: Discussionmentioning

confidence: 99%

“…The phase transitions in NNO are due to interplay of several instabilities, which requires taking into account several order parameters that are not considered in the aforementioned approach. Recently, Patel et al [43] also considered the effect of epitaxial strain on (001)NaNbO 3 films using DFT method and obtained a phase diagram by comparing the energies of different structures of NNO. The diagram was found to include the monoclinically distorted N phase, the Q phase, and the polar phase stemming from the bulk P structure, in which electric polarization additionally appears, thus, lowering the symmetry from P bcm to P ca2 1 .…”

Section: Introductionmentioning

confidence: 99%

“…It has to be noted, though, that usually the crystal symmetry of the NNO film, i.e., the Q or the P phase, is established only upon the presence of two-or fourfold multiplication of the pseudocubic unit cell. Since the NNO films with fourfold multiplication in some cases show electric polarization, it remains unclear, for example, whether its structure is related to the aforementioned P ca2 1 phase [43]. Another important open question is: What is the origin of the temperatureinduced phase transition manifested in the maximum of the temperature-dependent dielectric constant and how it is related to the dielectric constant maximum at the P-R transition in the bulk?…”

Section: Introductionmentioning

confidence: 99%

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Phase transition between two different orientations of the Q phase in the NaNbO$_3$ thin film

Павленко¹,

Stryukov²,

V.³

et al. 2021

Preprint

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Temperature evolution of dielectric response, atomic structure, and lattice dynamics in thin film of sodium niobate in the epitaxial NaNbO3/SrRuO3/(001)MgO heterostructure is studied by dielectric measurements, x-ray diffraction, and Raman spectroscopy. It is found that at room temperature NaNbO3 is in ferroelectric state, whereas the temperature-dependent dielectric constant experiences a broad maximum at 440 K on cooling and at 500 K on heating and reveals a diffuse phase transition. Reciprocal space mapping shows the presence of both anti-phase and in-phase tilting of oxygen octahedra. The temperature dependence of the M-point reflections suggests reorientation of the in-phase octahedra tilting axis from being parallel to the substrate at room temperature to perpendicular orientation at high temperatures. The temperature evolution of the shape of the Raman spectra reveal the decrease of the number of constituting peaks on heating. These results are interpreted as indicating a temperature-driven transition between two different orientations of the bulk ferroelectric Q phase with respect to the interface, namely between the state with electric polarization pointing at ≈ 45 • to the normal at room temperature to the state with polarization parallel to the interface above the transition. Transitions of this kind can be anticipated from theoretical considerations, while the experimental evidences of such are yet scarce.

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Section: Discussionmentioning

confidence: 98%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Phase transition between two different orientations of the Q phase in the NaNbO$_3$ thin film

Павленко¹,

Stryukov²,

V.³

et al. 2021

Preprint

View full text Add to dashboard Cite

show abstract

“…For instance, ∆E 1 has been found in Refs. [46,47] to be responsible for generating the P bcm state of NaNbO 3 , for which δ = 1/4 and thus q 1 = (1/2, 1/2, 1/4) is the T-point and q 2 = (0, 0, 1/4) is the ∆-point. However, the existence of all these physical quantities also implies that another energetic coupling is activated, that is one coupling four order parameters, namely ω R…”

Section: Structural Distortions In Orthorhombic Perovskitesmentioning

confidence: 99%

Energetic Couplings in Ferroics

Zhao

Chen

Prosandeev

et al. 2021

Adv Elect Materials

Self Cite

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Ferroics include diverse degrees of freedom (such as structural distortions and magnetic moments) among which cross couplings occur, rendering a large variety of interesting phenomena. Determining such couplings, based on symmetry analysis, is not only important to interpret observed phenomena but can also result in novel predictions to be then experimentally checked. Often, such energetic couplings are difficult to construct without a deep knowledge of group theoretical symmetry principles. In the present review, a crash course towards the derivation of energetic couplings, without using much the group theoretical language, is provided. Rather, the present approach relies on a graphical technique and suitable symbolic language, which naturally yields some known couplings (resulting in, e.g., spin/dipole canting, magnetically driven polarization and antipolar/antiferroelectric states). This review also reports and discusses other symmetry-allowed energetic terms, including some leading to the occurrence of an electric polarization in a variety of materials, and "exotic" ones that generate complex phases and phenomena in, e.g., nanostructures and heterostructures.

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Size‐Induced Ferroelectricity in Antiferroelectric Oxide Membranes

Crust

Harbola

et al. 2023

Advanced Materials

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Despite extensive studies on size effects in ferroelectrics, how structures and properties evolve in antiferroelectrics with reduced dimensions still remains elusive. Given the enormous potential of utilizing antiferroelectrics for high‐energy‐density storage applications, understanding their size effects will provide key information for optimizing device performances at small scales. Here, the fundamental intrinsic size dependence of antiferroelectricity in lead‐free NaNbO3 membranes is investigated. Via a wide range of experimental and theoretical approaches, an intriguing antiferroelectric‐to‐ferroelectric transition upon reducing membrane thickness is probed. This size effect leads to a ferroelectric single‐phase below 40 nm, as well as a mixed‐phase state with ferroelectric and antiferroelectric orders coexisting above this critical thickness. Furthermore, it is shown that the antiferroelectric and ferroelectric orders are electrically switchable. First‐principle calculations further reveal that the observed transition is driven by the structural distortion arising from the membrane surface. This work provides direct experimental evidence for intrinsic size‐driven scaling in antiferroelectrics and demonstrates enormous potential of utilizing size effects to drive emergent properties in environmentally benign lead‐free oxides with the membrane platform.

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Properties of (001) NaNbO3 films under epitaxial strain: A first-principles study

Cited by 15 publications

References 44 publications

Phase transition between two different orientations of the Q phase in the NaNbO$_3$ thin film

Phase transition between two different orientations of the Q phase in the NaNbO$_3$ thin film

Energetic Couplings in Ferroics

Size‐Induced Ferroelectricity in Antiferroelectric Oxide Membranes

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