skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites

; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
Grant/Contract Number:
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 5; Related Information: CHORUS Timestamp: 2016-08-12 18:11:02; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Patel, Kinnary, Prosandeev, Sergey, Yang, Yurong, Xu, Bin, Íñiguez, Jorge, and Bellaiche, L. Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.054107.
Patel, Kinnary, Prosandeev, Sergey, Yang, Yurong, Xu, Bin, Íñiguez, Jorge, & Bellaiche, L. Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites. United States. doi:10.1103/PhysRevB.94.054107.
Patel, Kinnary, Prosandeev, Sergey, Yang, Yurong, Xu, Bin, Íñiguez, Jorge, and Bellaiche, L. 2016. "Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites". United States. doi:10.1103/PhysRevB.94.054107.
title = {Atomistic mechanism leading to complex antiferroelectric and incommensurate perovskites},
author = {Patel, Kinnary and Prosandeev, Sergey and Yang, Yurong and Xu, Bin and Íñiguez, Jorge and Bellaiche, L.},
abstractNote = {},
doi = {10.1103/PhysRevB.94.054107},
journal = {Physical Review B},
number = 5,
volume = 94,
place = {United States},
year = 2016,
month = 8

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.94.054107

Save / Share:
  • Antiferroelectric tin-modified lead zirconate titanate ceramics (PZST), with 42 at. % Sn and 4 at. % Ti, were studied by hot- and cold-stage transmission electron microscopy and selected area electron diffraction techniques. The previously reported tetragonal antiferroelectric state is shown to be an incommensurate orthorhombic state. Observations revealed the existence of incommensurate 1/[ital x][l angle]110[r angle] superlattice reflections below the temperature of the dielectric maximum. The modulation wavelength for this incommensurate structure was found to be metastably locked-in near and below room temperature. An incommensurate-commensurate orthorhombic antiferroelectric transformation was then observed at lower temperatures. However, an intermediate condition was observedmore » over a relatively wide temperature range which was characterized by an intergrowth of [l angle]110[r angle] structural modulations, which was strongly diffuse along the [l angle]110[r angle]. These structural observations were correlated with dispersion in the dielectric properties in the same temperature range. No previous reports of an incommensurate orthorhombic antiferroelectric state or an incommensurate-commensurate orthorhombic antiferroelectric transformation are know to exist.« less
  • Most antiferroelectric ceramics are modified from the prototype PbZrO{sub 3} by adding Sn and Ti in conjunction with small amount of Nb or La to optimize their properties. These modifiers introduce unique nanoscale structural feature to the ceramics in the form of incommensurate modulations. It was shown previously that the modulation is strongly responsive to a change in chemical composition or temperature. However, its response to an electric field, the driving force in real applications, has not been explored before. In the present work the dynamic evolution of the incommensurate modulation during the electric field-induced antiferroelectric-to-ferroelectric transformation was observed withmore » an in situ transmission electron microscopy (TEM) technique. The results indicate that the incommensurate modulation exists as a transverse Pb-cation displacement wave. The wavelength was found to be quite stable against external electrical stimuli, in sharp contrast to the dramatic change under thermal stimuli reported previously. It is suggested that the appeared incommensurate modulation is an average effect of a mixture of two commensurate modulations. The electric field-induced antiferroelectric-to-ferroelectric transformation proceeds with aligning the Pb-cation displacements, which resembles the process of 90 deg. reorientation and 180 deg. reversal in normal ferroelectrics.« less
  • Optical properties and phase transitions of (Pb{sub 1−1.5x}La{sub x})(Zr{sub 0.42}Sn{sub 0.40}Ti{sub 0.18})O{sub 3} (PLZST 100x/42/40/18) ceramics with different compositions have been investigated by temperature dependent spectroscopic ellipsometry. Two interband critical points (E{sub cp1} and E{sub cp2}) located at about 3.9 and 5.1 eV can be obtained by fitting standard line shapes to the second derivatives of the complex dielectric functions. Based on the band-to-band transitions, the phase diagram of PLZST ceramics can be well presented. Moreover, a peculiar incommensurate antiferroelectric state has been found to exist above the temperature of the normal commensurate antiferroelectric tetragonal structure. It can be stable belowmore » Curie temperature, evolving slowly with decreasing temperature towards the commensurate structure, which is due to strong pinning of incommensurate domain walls. The phenomena can result from a competition between ferroelectric ordering and antiferroelectric ordering caused by the lanthanum modification.« less
  • Cited by 9
  • Structures with incommensurate ordering along the [0001] direction are observed in wurtzite Al{sub 0.72}Ga{sub 0.28}N alloys grown by plasma-assisted molecular beam epitaxy on c-plane sapphire. Films grown in environments with group-III/N ratios greater than 1 exhibit ordered superlattice structures that are incommensurate with the wurtzite crystal lattice. In contrast, films grown under nitrogen-rich conditions exhibit ordered structures with a periodicity of four cation-N monolayers. The increasing complexity of the ordering with increasing Ga-rich growth environment suggests that the ordering is related to the presence of a Ga overlayer believed to exist on the surface of the growing film.