Relations Between Domain States and Heterophase Structures in Lead-Free Ferroelectric Solid Solutions

Topolov, V. Yu.

doi:10.1007/978-3-319-75520-5_6

Cited by 2 publications

(3 citation statements)

References 27 publications

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“…Note that, in this scenario, the existence of a tricritical point, where the tetragonal and rhombohedral ferroelectric states meet with the paraelectric phase, can occur at a specific composition and temperature but the highest room-temperature piezoelectric response can correspond to other compositions, namely the ones for which the orthorhombic state is stable within a small temperature region comprising 280–300 K. These are precisely the conditions encountered in BCTZ- x (refs 12, 23). Note also that this scenario is different from, that is, the mixing of rhombohedral Pb(Zr,Ti)O 3 of lower Ti compositions with tetragonal Pb(Zr,Ti)O 3 of larger Ti concentrations for which the coexistence of rhombohedral and tetragonal domains40, or the occurrence of a compositionally induced bridging monoclinic phase415, can yield large electromechanical response, since our scenario consists in creating a macroscopic orthorhombic phase of small temperature range of stability in-between the temperature ranges of the tetragonal and rhombohedral states.…”

Section: Discussionmentioning

confidence: 87%

Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3

Nahas¹,

Akbarzadeh²,

Prokhorenko³

et al. 2017

Nat Commun

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In light of directives around the world to eliminate toxic materials in various technologies, finding lead-free materials with high piezoelectric responses constitutes an important current scientific goal. As such, the recent discovery of a large electromechanical conversion near room temperature in (1−x)Ba(Zr0.2Ti0.8)O3−x(Ba0.7Ca0.3)TiO3 compounds has directed attention to understanding its origin. Here, we report the development of a large-scale atomistic scheme providing a microscopic insight into this technologically promising material. We find that its high piezoelectricity originates from the existence of large fluctuations of polarization in the orthorhombic state arising from the combination of a flat free-energy landscape, a fragmented local structure, and the narrow temperature window around room temperature at which this orthorhombic phase is the equilibrium state. In addition to deepening the current knowledge on piezoelectricity, these findings have the potential to guide the design of other lead-free materials with large electromechanical responses.

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Section: Discussionmentioning

confidence: 87%

Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3

Nahas¹,

Akbarzadeh²,

Prokhorenko³

et al. 2017

Nat Commun

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show abstract

“…In case of ferroelectric materials also the term heterophase has been coined. [1][2][3][4] It is meanwhile widely accepted that this peculiar microstructure originates from the transformation that basically represents a shear along a specific crystallographic plane, referred to as the habit plane, [5] on which the atoms move over distances that are smaller than the lattice constants. Displacive phase transitions take place via nucleation, growth, and movement of phase fronts through the material in the form of discrete avalanches.…”

Section: Microstructural Signaturesmentioning

confidence: 99%

“…[6] To describe the martensitic microstructure a common phenomenological theory was developed by Wechsler and Bowles, [5,[12][13][14] and applied further to ferroelectric materials. [1,14] This concept assumes that all stress occurring during the austenite-to-martensite phase transition is concentrated at the interface between the two phases and minimized by the formation of twin boundaries in the martensite. Note that the stress at ferroelectric phase boundaries and martensitic phase transitions of relevant superconductors like A15-type, cuprate-or iron-based superconductors is typically order(s) of magnitude smaller than in shape memory alloys, but still enough to define the microstructure.…”

Section: Microstructural Signaturesmentioning

confidence: 99%

A Unifying Perspective of Common Motifs That Occur across Disparate Classes of Materials Harboring Displacive Phase Transitions

Grünebohm

Hütten

Böhmer

et al. 2023

Advanced Energy Materials

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Several classes of materials manifest displacive phase transitions, including shape memory alloys, many electronically correlated materials, superconductors, and ferroelectrics. Each of these classes of materials displays a wide range of fascinating properties and functionalities that are studied in disparate communities. However, these materials’ classes share similar electronic and phononic instabilities in conjunction with microstructural features. Specifically, the common motifs include twinned microstructures, anomalies in the transport behavior, softening of specific phonons, and frequently also (giant) Kohn anomalies, soft phonons, and/or nesting of the Fermi surface. These effects, phenomena, and their applications have until now been discussed in separate communities, which is a missed opportunity. In this perspective a unified framework is presented to understand these materials, by identifying similarities, defining a unified phenomenological description of displacive phase transitions and the associated order parameters, and introducing the main symmetry‐breaking mechanisms. This unified framework aims to bring together experimental and theoretical know‐how and methodologies across disciplines to enable unraveling hitherto missing important mechanistic understanding about the phase transitions in (magnetic) shape memory alloys, superconductors and correlated materials, and ferroelectrics. Connecting structural and electronic phenomena and microstructure to functional properties may offer so‐far unknown pathways to innovate applications based on these materials.

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Relations Between Domain States and Heterophase Structures in Lead-Free Ferroelectric Solid Solutions

Cited by 2 publications

References 27 publications

Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3

Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3

A Unifying Perspective of Common Motifs That Occur across Disparate Classes of Materials Harboring Displacive Phase Transitions

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