Slush-like polar structures in single-crystal relaxors

Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency...
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Autor*in:	Takenaka, Hiroyuki [verfasserIn] Grinberg, Ilya Liu, Shi Rappe, Andrew M

Format:	Artikel
Sprache:	Englisch

Erschienen:	2017

Schlagwörter:	Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination

Übergeordnetes Werk:	Enthalten in: Nature - London : Macmillan Publishers Limited, part of Springer Nature, 1869, 546(2017), 7658, Seite 391
Übergeordnetes Werk:	volume:546 ; year:2017 ; number:7658 ; pages:391

Links:	Volltext Link aufrufen

DOI / URN:	10.1038/nature22068

Katalog-ID:	OLC1994627735

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650		4	\|a Observations
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650		4	\|a Crystals
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650		4	\|a Phase transformations
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650		4	\|a Frequency dependence
650		4	\|a Behavior
650		4	\|a Relaxors
650		4	\|a Nanostructure
650		4	\|a Ultrahigh temperature
650		4	\|a Permittivity
650		4	\|a Spatial discrimination
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allfields	10.1038/nature22068 doi PQ20170901 (DE-627)OLC1994627735 (DE-599)GBVOLC1994627735 (PRQ)g1462-afc5020da7e3dfb2ed6d5b226dead82a75b65eb8299f6b01bb6ac681ff7dda140 (KEY)0072945020170000546765800391slushlikepolarstructuresinsinglecrystalrelaxors DE-627 ger DE-627 rakwb eng 070 500 DE-101 500 AVZ BIODIV fid Takenaka, Hiroyuki verfasserin aut Slush-like polar structures in single-crystal relaxors 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials. Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination Grinberg, Ilya oth Liu, Shi oth Rappe, Andrew M oth Enthalten in Nature London : Macmillan Publishers Limited, part of Springer Nature, 1869 546(2017), 7658, Seite 391 (DE-627)129292834 (DE-600)120714-3 (DE-576)014473941 0028-0836 nnns volume:546 year:2017 number:7658 pages:391 http://dx.doi.org/10.1038/nature22068 Volltext https://search.proquest.com/docview/1912584970 GBV_USEFLAG_A SYSFLAG_A GBV_OLC FID-BIODIV SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-FOR SSG-OLC-SPO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-FOR GBV_ILN_11 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_62 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_101 GBV_ILN_110 GBV_ILN_120 GBV_ILN_135 GBV_ILN_154 GBV_ILN_168 GBV_ILN_170 GBV_ILN_171 GBV_ILN_211 GBV_ILN_252 GBV_ILN_290 GBV_ILN_294 GBV_ILN_601 GBV_ILN_647 GBV_ILN_754 GBV_ILN_2001 GBV_ILN_2002 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2026 GBV_ILN_2095 GBV_ILN_2116 GBV_ILN_2120 GBV_ILN_2121 GBV_ILN_2219 GBV_ILN_2221 GBV_ILN_2279 GBV_ILN_2286 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4125 GBV_ILN_4219 GBV_ILN_4251 GBV_ILN_4277 GBV_ILN_4302 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4317 GBV_ILN_4320 GBV_ILN_4324 AR 546 2017 7658 391
spelling	10.1038/nature22068 doi PQ20170901 (DE-627)OLC1994627735 (DE-599)GBVOLC1994627735 (PRQ)g1462-afc5020da7e3dfb2ed6d5b226dead82a75b65eb8299f6b01bb6ac681ff7dda140 (KEY)0072945020170000546765800391slushlikepolarstructuresinsinglecrystalrelaxors DE-627 ger DE-627 rakwb eng 070 500 DE-101 500 AVZ BIODIV fid Takenaka, Hiroyuki verfasserin aut Slush-like polar structures in single-crystal relaxors 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials. Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination Grinberg, Ilya oth Liu, Shi oth Rappe, Andrew M oth Enthalten in Nature London : Macmillan Publishers Limited, part of Springer Nature, 1869 546(2017), 7658, Seite 391 (DE-627)129292834 (DE-600)120714-3 (DE-576)014473941 0028-0836 nnns volume:546 year:2017 number:7658 pages:391 http://dx.doi.org/10.1038/nature22068 Volltext https://search.proquest.com/docview/1912584970 GBV_USEFLAG_A SYSFLAG_A GBV_OLC FID-BIODIV SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-FOR SSG-OLC-SPO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-FOR GBV_ILN_11 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_62 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_101 GBV_ILN_110 GBV_ILN_120 GBV_ILN_135 GBV_ILN_154 GBV_ILN_168 GBV_ILN_170 GBV_ILN_171 GBV_ILN_211 GBV_ILN_252 GBV_ILN_290 GBV_ILN_294 GBV_ILN_601 GBV_ILN_647 GBV_ILN_754 GBV_ILN_2001 GBV_ILN_2002 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2026 GBV_ILN_2095 GBV_ILN_2116 GBV_ILN_2120 GBV_ILN_2121 GBV_ILN_2219 GBV_ILN_2221 GBV_ILN_2279 GBV_ILN_2286 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4125 GBV_ILN_4219 GBV_ILN_4251 GBV_ILN_4277 GBV_ILN_4302 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4317 GBV_ILN_4320 GBV_ILN_4324 AR 546 2017 7658 391
allfields_unstemmed	10.1038/nature22068 doi PQ20170901 (DE-627)OLC1994627735 (DE-599)GBVOLC1994627735 (PRQ)g1462-afc5020da7e3dfb2ed6d5b226dead82a75b65eb8299f6b01bb6ac681ff7dda140 (KEY)0072945020170000546765800391slushlikepolarstructuresinsinglecrystalrelaxors DE-627 ger DE-627 rakwb eng 070 500 DE-101 500 AVZ BIODIV fid Takenaka, Hiroyuki verfasserin aut Slush-like polar structures in single-crystal relaxors 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials. Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination Grinberg, Ilya oth Liu, Shi oth Rappe, Andrew M oth Enthalten in Nature London : Macmillan Publishers Limited, part of Springer Nature, 1869 546(2017), 7658, Seite 391 (DE-627)129292834 (DE-600)120714-3 (DE-576)014473941 0028-0836 nnns volume:546 year:2017 number:7658 pages:391 http://dx.doi.org/10.1038/nature22068 Volltext https://search.proquest.com/docview/1912584970 GBV_USEFLAG_A SYSFLAG_A GBV_OLC FID-BIODIV SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-FOR SSG-OLC-SPO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-FOR GBV_ILN_11 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_62 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_101 GBV_ILN_110 GBV_ILN_120 GBV_ILN_135 GBV_ILN_154 GBV_ILN_168 GBV_ILN_170 GBV_ILN_171 GBV_ILN_211 GBV_ILN_252 GBV_ILN_290 GBV_ILN_294 GBV_ILN_601 GBV_ILN_647 GBV_ILN_754 GBV_ILN_2001 GBV_ILN_2002 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2026 GBV_ILN_2095 GBV_ILN_2116 GBV_ILN_2120 GBV_ILN_2121 GBV_ILN_2219 GBV_ILN_2221 GBV_ILN_2279 GBV_ILN_2286 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4125 GBV_ILN_4219 GBV_ILN_4251 GBV_ILN_4277 GBV_ILN_4302 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4317 GBV_ILN_4320 GBV_ILN_4324 AR 546 2017 7658 391
allfieldsGer	10.1038/nature22068 doi PQ20170901 (DE-627)OLC1994627735 (DE-599)GBVOLC1994627735 (PRQ)g1462-afc5020da7e3dfb2ed6d5b226dead82a75b65eb8299f6b01bb6ac681ff7dda140 (KEY)0072945020170000546765800391slushlikepolarstructuresinsinglecrystalrelaxors DE-627 ger DE-627 rakwb eng 070 500 DE-101 500 AVZ BIODIV fid Takenaka, Hiroyuki verfasserin aut Slush-like polar structures in single-crystal relaxors 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials. Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination Grinberg, Ilya oth Liu, Shi oth Rappe, Andrew M oth Enthalten in Nature London : Macmillan Publishers Limited, part of Springer Nature, 1869 546(2017), 7658, Seite 391 (DE-627)129292834 (DE-600)120714-3 (DE-576)014473941 0028-0836 nnns volume:546 year:2017 number:7658 pages:391 http://dx.doi.org/10.1038/nature22068 Volltext https://search.proquest.com/docview/1912584970 GBV_USEFLAG_A SYSFLAG_A GBV_OLC FID-BIODIV SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-FOR SSG-OLC-SPO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-FOR GBV_ILN_11 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_62 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_101 GBV_ILN_110 GBV_ILN_120 GBV_ILN_135 GBV_ILN_154 GBV_ILN_168 GBV_ILN_170 GBV_ILN_171 GBV_ILN_211 GBV_ILN_252 GBV_ILN_290 GBV_ILN_294 GBV_ILN_601 GBV_ILN_647 GBV_ILN_754 GBV_ILN_2001 GBV_ILN_2002 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2026 GBV_ILN_2095 GBV_ILN_2116 GBV_ILN_2120 GBV_ILN_2121 GBV_ILN_2219 GBV_ILN_2221 GBV_ILN_2279 GBV_ILN_2286 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4125 GBV_ILN_4219 GBV_ILN_4251 GBV_ILN_4277 GBV_ILN_4302 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4317 GBV_ILN_4320 GBV_ILN_4324 AR 546 2017 7658 391
allfieldsSound	10.1038/nature22068 doi PQ20170901 (DE-627)OLC1994627735 (DE-599)GBVOLC1994627735 (PRQ)g1462-afc5020da7e3dfb2ed6d5b226dead82a75b65eb8299f6b01bb6ac681ff7dda140 (KEY)0072945020170000546765800391slushlikepolarstructuresinsinglecrystalrelaxors DE-627 ger DE-627 rakwb eng 070 500 DE-101 500 AVZ BIODIV fid Takenaka, Hiroyuki verfasserin aut Slush-like polar structures in single-crystal relaxors 2017 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials. Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination Grinberg, Ilya oth Liu, Shi oth Rappe, Andrew M oth Enthalten in Nature London : Macmillan Publishers Limited, part of Springer Nature, 1869 546(2017), 7658, Seite 391 (DE-627)129292834 (DE-600)120714-3 (DE-576)014473941 0028-0836 nnns volume:546 year:2017 number:7658 pages:391 http://dx.doi.org/10.1038/nature22068 Volltext https://search.proquest.com/docview/1912584970 GBV_USEFLAG_A SYSFLAG_A GBV_OLC FID-BIODIV SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-MAT SSG-OLC-FOR SSG-OLC-SPO SSG-OLC-PHA SSG-OLC-DE-84 SSG-OPC-FOR GBV_ILN_11 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_62 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_101 GBV_ILN_110 GBV_ILN_120 GBV_ILN_135 GBV_ILN_154 GBV_ILN_168 GBV_ILN_170 GBV_ILN_171 GBV_ILN_211 GBV_ILN_252 GBV_ILN_290 GBV_ILN_294 GBV_ILN_601 GBV_ILN_647 GBV_ILN_754 GBV_ILN_2001 GBV_ILN_2002 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2026 GBV_ILN_2095 GBV_ILN_2116 GBV_ILN_2120 GBV_ILN_2121 GBV_ILN_2219 GBV_ILN_2221 GBV_ILN_2279 GBV_ILN_2286 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4125 GBV_ILN_4219 GBV_ILN_4251 GBV_ILN_4277 GBV_ILN_4302 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4317 GBV_ILN_4320 GBV_ILN_4324 AR 546 2017 7658 391
language	English
source	Enthalten in Nature 546(2017), 7658, Seite 391 volume:546 year:2017 number:7658 pages:391
sourceStr	Enthalten in Nature 546(2017), 7658, Seite 391 volume:546 year:2017 number:7658 pages:391
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination
dewey-raw	070
isfreeaccess_bool	false
container_title	Nature
authorswithroles_txt_mv	Takenaka, Hiroyuki @@aut@@ Grinberg, Ilya @@oth@@ Liu, Shi @@oth@@ Rappe, Andrew M @@oth@@
publishDateDaySort_date	2017-01-01T00:00:00Z
hierarchy_top_id	129292834
dewey-sort	270
id	OLC1994627735
language_de	englisch
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author	Takenaka, Hiroyuki
spellingShingle	Takenaka, Hiroyuki ddc 070 ddc 500 fid BIODIV misc Observations misc Ferroelectric crystals misc Crystals misc Structure misc Properties misc Molecular structure misc Walls misc Single crystals misc Correlations misc Molecular dynamics misc Ferroelectrics misc Ferroelectricity misc Piezoelectricity misc Phase transitions misc Scattering misc Computer simulation misc Properties (attributes) misc Crystal structure misc Slush misc Temperature effects misc Dielectric properties misc Dielectric strength misc Ferroelectric materials misc Domain walls misc Phase transformations misc Studies misc Polarization misc Frequency dependence misc Behavior misc Relaxors misc Nanostructure misc Ultrahigh temperature misc Permittivity misc Spatial discrimination Slush-like polar structures in single-crystal relaxors
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topic_title	070 500 DE-101 500 AVZ BIODIV fid Slush-like polar structures in single-crystal relaxors Observations Ferroelectric crystals Crystals Structure Properties Molecular structure Walls Single crystals Correlations Molecular dynamics Ferroelectrics Ferroelectricity Piezoelectricity Phase transitions Scattering Computer simulation Properties (attributes) Crystal structure Slush Temperature effects Dielectric properties Dielectric strength Ferroelectric materials Domain walls Phase transformations Studies Polarization Frequency dependence Behavior Relaxors Nanostructure Ultrahigh temperature Permittivity Spatial discrimination
topic	ddc 070 ddc 500 fid BIODIV misc Observations misc Ferroelectric crystals misc Crystals misc Structure misc Properties misc Molecular structure misc Walls misc Single crystals misc Correlations misc Molecular dynamics misc Ferroelectrics misc Ferroelectricity misc Piezoelectricity misc Phase transitions misc Scattering misc Computer simulation misc Properties (attributes) misc Crystal structure misc Slush misc Temperature effects misc Dielectric properties misc Dielectric strength misc Ferroelectric materials misc Domain walls misc Phase transformations misc Studies misc Polarization misc Frequency dependence misc Behavior misc Relaxors misc Nanostructure misc Ultrahigh temperature misc Permittivity misc Spatial discrimination
topic_unstemmed	ddc 070 ddc 500 fid BIODIV misc Observations misc Ferroelectric crystals misc Crystals misc Structure misc Properties misc Molecular structure misc Walls misc Single crystals misc Correlations misc Molecular dynamics misc Ferroelectrics misc Ferroelectricity misc Piezoelectricity misc Phase transitions misc Scattering misc Computer simulation misc Properties (attributes) misc Crystal structure misc Slush misc Temperature effects misc Dielectric properties misc Dielectric strength misc Ferroelectric materials misc Domain walls misc Phase transformations misc Studies misc Polarization misc Frequency dependence misc Behavior misc Relaxors misc Nanostructure misc Ultrahigh temperature misc Permittivity misc Spatial discrimination
topic_browse	ddc 070 ddc 500 fid BIODIV misc Observations misc Ferroelectric crystals misc Crystals misc Structure misc Properties misc Molecular structure misc Walls misc Single crystals misc Correlations misc Molecular dynamics misc Ferroelectrics misc Ferroelectricity misc Piezoelectricity misc Phase transitions misc Scattering misc Computer simulation misc Properties (attributes) misc Crystal structure misc Slush misc Temperature effects misc Dielectric properties misc Dielectric strength misc Ferroelectric materials misc Domain walls misc Phase transformations misc Studies misc Polarization misc Frequency dependence misc Behavior misc Relaxors misc Nanostructure misc Ultrahigh temperature misc Permittivity misc Spatial discrimination
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title	Slush-like polar structures in single-crystal relaxors
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title_full	Slush-like polar structures in single-crystal relaxors
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title_sort	slush-like polar structures in single-crystal relaxors
title_auth	Slush-like polar structures in single-crystal relaxors
abstract	Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials.
abstractGer	Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials.
abstract_unstemmed	Despite more than 50 years of investigation, it is still unclear how the underlying structure of relaxor ferroelectrics gives rise to their defining properties, such as ultrahigh piezoelectric coefficients, high permittivity over a broad temperature range, diffuse phase transitions, strong frequency dependence in dielectric response, and phonon anomalies1-10. The model of polar nanoregions inside a non-polar matrix has been widely used to describe the structure of relaxor ferroelectrics11. However, the lack of precise knowledge about the shapes, growth and dipole patterns of polar nanoregions has led to the characterization of relaxors as "hopeless messes"12, and no predictive model for relaxor behaviour is currently available. Here we use molecular dynamics simulations of the prototypical Pb(Mg1/3,Nb2/3)O3-PbTiO3 relaxor material to examine its structure and the spatial and temporal polarization correlations. Our simulations show that the unusual properties of relaxors stem from the presence of a multi-domain state with extremely small domain sizes (2-10 nanometres), and no non-polar matrix, owing to the local dynamics. We find that polar structures in the multidomain state in relaxors are analogous to those of the slush state of water. The multi-domain structure of relaxors that is revealed by our molecular dynamics simulations is consistent with recent experimental diffuse scattering results and indicates that relaxors have a high density of low-angle domain walls. This insight explains the recently discovered classes of relaxors13 that cannot be described by the polar nanoregion model, and provides guidance for the design and synthesis of new relaxor materials.
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title_short	Slush-like polar structures in single-crystal relaxors
url	http://dx.doi.org/10.1038/nature22068 https://search.proquest.com/docview/1912584970
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author2	Grinberg, Ilya Liu, Shi Rappe, Andrew M
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up_date	2024-07-03T18:37:15.395Z
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Slush-like polar structures in single-crystal relaxors

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