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The structural characteristics of the perovskite- based ferroelectric Pb(Zn1/3Nb2/3)O3-9%PbTiO3 at the morphotropic phase boundary (MPB) region (x≃0.09) have been analyzed. The analysis is based on the symmetry adapted free energy…

Using data obtained from first-principles calculations, we show that the position of the morphotropic phase boundary (MPB) and transition temperature at MPB in ferroelectric perovskite solutions can be predicted with quantitative accuracy…

Materials Science · Physics 2009-11-11 Ilya Grinberg , Matthew R. Suchomel , P. K. Davies , Andrew M. Rappe

Understanding the phase behavior of mixed-cation halide perovskites is critical for optimizing their structural stability and optoelectronic performance. Here, we map the phase diagram of MA$_{1-x}$FA$_x$PbI$_3$ using a machine-learned…

Materials Science · Physics 2025-03-31 Tobias Hainer , Erik Fransson , Sangita Dutta , Julia Wiktor , Paul Erhart

Ferroelectric solid solutions usually exhibit giant dielectric response and high piezoelectricity in the vicinity of the morphotropic phase boundary (MPB), where the structural phase transitions between the rhombohedral and the tetragonal…

Materials Science · Physics 2024-07-02 Yubai Shi , Yifan Shan , Hongyu Wu , Zhicheng Zhong , Ri He , Run-Wei Li

The origin of the very large piezoelectric response observed in the vicinity of the morphotropic phase boundary (MPB) in perovskite lead zirconate titanate and related systems has been under intensive studies. Polarization rotation ideas…

Materials Science · Physics 2009-11-13 Johannes Frantti , Yukari Fujioka , Risto M. Nieminen

The symmetry was examined using neutron diffraction method on Pb(Zn1/3Nb2/3)O3 -9%PbTiO3 (PZN/9PT) which has a composition at the morphotropic phase boundary (MPB) between Pb(Zn1/3Nb2/3)O3 and PbTiO3. The results were compared with those of…

A simple model to reproduce strong enhancement of dielectric response near the morphotropic phase boundary (MPB) is proposed. This model consists of long-range dipole-dipole interaction and compositional chemical disorder incorporated by…

Materials Science · Physics 2013-05-21 Yusuke Tomita , Takeo Kato

In this work, we address the issue of peaking of piezoelectric response at a particular composition in the morphotropic phase boundary (MPB) region of (Pb0.940Sr0.06)(ZrxTi1-x)O3 (PSZT) piezoelectric ceramics. We present results of…

Morphotropic phase boundaries (MPBs) show substantial piezoelectric and dielectric responses, which have practical applications. The predicted existence of MPB in HfO2-ZrO2 solid solution thin film has provided a new way to increase the…

Materials Science · Physics 2021-07-28 Alireza Kashir , Hyunsang Hwang

The crystal structure of the MAPbI$_3$ hybrid perovskite forms an intricate electrostatic puzzle with different ordering patterns of the MA molecules at elevated temperatures. For this perovskite three published model Hamiltonians based on…

Materials Science · Physics 2019-09-16 Jonathan Lahnsteiner , Ryosuke Jinnouchi , Menno Bokdam

A monoclinic phase was recently discovered near the morphotropic phase boundary in several high-performance piezoelectric perovskite solid solutions, but its properties have not been reported. In this paper the dielectric, piezo- and…

Materials Science · Physics 2016-08-31 A. A. Bokov , Z. -G. Ye

We screen a large chemical space of perovskite alloys for systems with the right properties to accommodate a morphotropic phase boundary (MPB) in their composition-temperature phase diagram, a crucial feature for high piezoelectric…

Materials Science · Physics 2015-06-17 Rickard Armiento , Boris Kozinsky , Geoffroy Hautier , Marco Fornari , Gerbrand Ceder

A summary of the work recently carried out on the morphotropic phase boundary (MPB) of PZT is presented. By means of x-ray powder diffraction on ceramic samples of excellent quality, the MPB has been successfully characterized by changing…

Materials Science · Physics 2009-10-31 B. Noheda , J. A. Gonzalo , R. Guo , S. -E. Park , L. E. Cross , D. E. Cox , G. Shirane

The contributory mechanisms associated with high piezoelectric response in piezoelectric ceramics have been examined by in-situ electric field dependent high energy synchro x-ray diffraction study. A comparative study of electric field…

Materials Science · Physics 2015-08-25 Lalitha K. V. , Chris M. Fancher , Jacob L. Jones , Rajeev Ranjan

The effects of atomic short-range order on the properties of Pb(Zr_{1-x}Ti_x)O_3 alloy in its morphotropic phase boundary (MPB) are predicted by combining first-principles-based methods and annealing techniques. Clustering is found to lead…

Materials Science · Physics 2007-05-23 A. M. George , Jorge Iniguez , L. Bellaiche

All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associated with organic cations. To find a compromise between the…

Materials Science · Physics 2026-04-28 Mike Pols , Adri C. T. van Duin , Sofía Calero , Shuxia Tao

Strong piezoelectricity in the perovskite-type PbZr(1-x)TixO3 (PZT) and Pb(Zn1/3Nb2/3)O3-PbTiO3 (PZN-PT) systems is generally associated with the existence of a morphotropic phase boundary (MPB) separating regions with rhombohedral and…

Materials Science · Physics 2009-11-07 D. E. Cox , B. Noheda , G. Shirane , Y. Uesu , K. Fujishiro , Y. Yamada

The stability of mixed halide perovskites against phase separation is crucial for their optoelectronic applications, yet difficult to rationalize due to the interplay of enthalpic, configurational, and dynamical effects. Here we present a…

Recent structural studies of ferroelectric PbZr(1-x)TixO3 (PZT) with x= 0.48, have revealed a new monoclinic phase in the vicinity of the morphotropic phase boundary (MPB), previously regarded as the the boundary separating the rhombohedral…

Materials Science · Physics 2019-08-17 B. Noheda , D. E. Cox , G. Shirane , R. Guo , B. Jones , L. E. Cross

$MHyPbBr_xCl_{3-x}$ exhibits an interesting temperature-induced phase diagram transitioning from monoclinic (Phase-II) to orthorhombic (Phase-I) and eventually to the high-temperature disordered cubic phase. However, experimental…

Materials Science · Physics 2025-01-17 Pradhi Srivastava , Sayan Maity , Varadharajan Srinivasan
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