Journal article
Structural and ferroelectric phase evolution in [KNbO3](1-x)[ BaNi1/2Nb1/2O3-delta](x) (x=0,0.1)
Physical review. B, v 96(5)
28 Aug 2017
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The phase transition evolution for [KNbO3](1-x) [BaNi1/2Nb1/2O3-delta](x) (x = 0,0.1) is determined via complementary dielectric permittivity and Raman-scattering measurements. Raman scattering by optical phonons over the range of 100-1000 cm(-1) for 83 K < T < 873 K reveals six discernible zone-center optical phonon modes. Mode behaviors are observed through structural and ferroelectric phases in the solid solution x = 0.1 and compared with those for end member x = 0 and with the results of temperature-dependent dielectric permittivity. Rigorous peak fitting analyses of spectra collected from the solid solution and end member indicate structural and ferroelectric phase transition temperatures that are close to those for the KNbO3 end member despite the inclusion of 5 atomic % of ferroelectrically inactive Ni cations. Density functional theory calculations were performed in the solid solution and end member using both cation displacement and Berry phase-based methods. Differences in the electronic and polar properties between the solid solution and the end member highlights local and nonlocal characteristics, which are discussed in relation to the experimental data.
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Details
- Title
- Structural and ferroelectric phase evolution in [KNbO3](1-x)[ BaNi1/2Nb1/2O3-delta](x) (x=0,0.1)
- Creators
- Christopher J. Hawley - Drexel UniversityLiyan Wu - University of PennsylvaniaGeoffrey Xiao - Drexel UniversityIlya Grinberg - Bar-Ilan UniversityAndrew M. Rappe - University of PennsylvaniaPeter K. Davies - University of PennsylvaniaJonathan E. Spanier - Drexel University
- Publication Details
- Physical review. B, v 96(5)
- Publisher
- Amer Physical Soc
- Number of pages
- 8
- Grant note
- DMR 1608887 / National Science Foundation; National Science Foundation (NSF) W911NF-14-1-0500 / US Army Research Office DE-FG02-07ER46431 / Department of Energy Office of Basic Energy Sciences; United States Department of Energy (DOE) 1608887 / Direct For Mathematical & Physical Scien; National Science Foundation (NSF); NSF - Directorate for Mathematical & Physical Sciences (MPS)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Mechanical Engineering and Mechanics
- Web of Science ID
- WOS:000408510300001
- Scopus ID
- 2-s2.0-85028774517
- Other Identifier
- 991019168962504721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Materials Science, Multidisciplinary
- Physics, Applied
- Physics, Condensed Matter