A structural study of 0.06LiNbO3-0.94K0.5Na0.5NbO3 from neutron total scattering analysis

J. Kong; J. Liu; F. Marlton; M. R.V. Jørgensen; A. Pramanick

doi:10.3390/cryst11040395

A structural study of 0.06LiNbO₃-0.94K_0.5Na_0.5NbO₃ from neutron total scattering analysis

J. Kong, J. Liu, F. Marlton, M. R.V. Jørgensen, A. Pramanick

Powder Diffraction

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The structure of ferroelectric 0.06LiNbO₃-0.94K_0.5Na_0.5NbO₃ (KNNL6) was investigated by the neutron total scattering method in the temperature range of 290-773 K. The Rietveld analysis using the powder neutron diffraction data in the range of 290-773 K indicates transition from a two-phase (monoclinic and tetragonal) mixture at room temperature to tetragonal and cubic phases at higher temperatures. However, characterization of the local structure by the pair distribution function (PDF) method indicates that the local structure (r ≤ 10 Å) stays monoclinic over the same temperature range. Besides, the local oxygen octahedral distortion exhibits smaller changes with temperature than what is observed for the long-range average structure.

Original language	English
Article number	395
Journal	Crystals
Volume	11
Issue number	4
DOIs	https://doi.org/10.3390/cryst11040395
State	Published - 2021

Funding

Acknowledgments: Affiliation with the Center for Integrated Materials Research (iMAT) at Aarhus University is gratefully acknowledged. J.K. and F.M. gratefully acknowledge Michelle Everett for assisting with measurements at the NOMAD instrument. Research conducted at the NOMAD beamlines at ORNL’s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Sciences, U.S. Department of Energy. Funding: Funding support from CityU (Projects No. 7005121 and 6000688) and Research Grants Council of HK (Project No. 9043039) are gratefully acknowledged. FM and MRVJ thank the Danish Agency for Science, Technology, and Innovation for funding the instrument center DanScatt.

Funders	Funder number
Office of Basic Sciences
Research Grants Council of HK	9043039
Scientific User Facilities Division
U.S. Department of Energy
City University of Hong Kong	6000688, 7005121
Danish Agency for Science and Higher Education

Keywords

Ferroelectrics
Local structure
Neutron diffraction
Total scattering

Access to Document

10.3390/cryst11040395

Cite this

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title = "A structural study of 0.06LiNbO3-0.94K0.5Na0.5NbO3 from neutron total scattering analysis",

abstract = "The structure of ferroelectric 0.06LiNbO3-0.94K0.5Na0.5NbO3 (KNNL6) was investigated by the neutron total scattering method in the temperature range of 290-773 K. The Rietveld analysis using the powder neutron diffraction data in the range of 290-773 K indicates transition from a two-phase (monoclinic and tetragonal) mixture at room temperature to tetragonal and cubic phases at higher temperatures. However, characterization of the local structure by the pair distribution function (PDF) method indicates that the local structure (r ≤ 10 {\AA}) stays monoclinic over the same temperature range. Besides, the local oxygen octahedral distortion exhibits smaller changes with temperature than what is observed for the long-range average structure.",

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T1 - A structural study of 0.06LiNbO3-0.94K0.5Na0.5NbO3 from neutron total scattering analysis

AU - Kong, J.

AU - Liu, J.

AU - Marlton, F.

AU - Jørgensen, M. R.V.

AU - Pramanick, A.

PY - 2021

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N2 - The structure of ferroelectric 0.06LiNbO3-0.94K0.5Na0.5NbO3 (KNNL6) was investigated by the neutron total scattering method in the temperature range of 290-773 K. The Rietveld analysis using the powder neutron diffraction data in the range of 290-773 K indicates transition from a two-phase (monoclinic and tetragonal) mixture at room temperature to tetragonal and cubic phases at higher temperatures. However, characterization of the local structure by the pair distribution function (PDF) method indicates that the local structure (r ≤ 10 Å) stays monoclinic over the same temperature range. Besides, the local oxygen octahedral distortion exhibits smaller changes with temperature than what is observed for the long-range average structure.

AB - The structure of ferroelectric 0.06LiNbO3-0.94K0.5Na0.5NbO3 (KNNL6) was investigated by the neutron total scattering method in the temperature range of 290-773 K. The Rietveld analysis using the powder neutron diffraction data in the range of 290-773 K indicates transition from a two-phase (monoclinic and tetragonal) mixture at room temperature to tetragonal and cubic phases at higher temperatures. However, characterization of the local structure by the pair distribution function (PDF) method indicates that the local structure (r ≤ 10 Å) stays monoclinic over the same temperature range. Besides, the local oxygen octahedral distortion exhibits smaller changes with temperature than what is observed for the long-range average structure.

KW - Ferroelectrics

KW - Local structure

KW - Neutron diffraction

KW - Total scattering

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