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Title: Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling

Abstract

The electronic and structural phenomena at the twin domain walls and wall-surface junctions in the ferroelastic materials are analyzed. Carriers accumulation caused by the strain-induced band structure changes originated via the deformation potential mechanism, structural order parameter gradient, rotostriction and flexoelectric coupling is explored. Approximate analytical results show that inhomogeneous elastic strains, which exist in the vicinity of the twin walls surface junctions due to the rotostriction, decrease the local band gap via the deformation potential and flexoelectric coupling mechanisms. This is the direct mechanism of the domain walls static conductivity in ferroelastics and, by extension, in multiferroics and ferroelectrics. On the other hand, flexoelectric and rotostriction coupling leads to the appearance of the improper polarization and electric fields proportional to the structural order parameter gradient in the vicinity of the twin walls surface junctions. The flexo-roto fields leading to the carrier accumulation are considered as indirect mechanism of the twin walls conductivity. Comparison of the direct and indirect mechanisms illustrates complex range of phenomena directly responsible for domain wall static conductivity in materials with multiple order parameters.Electronic and structural phenomena at the twin-domain-wall/surface junctions in the ferroelastic materials are analyzed. Carriers accumulation caused by the strain-induced band structure changesmore » originated via the deformation potential mechanism, structural order parameter gradient, rotostriction, and flexoelectric coupling is explored. Approximate analytical results show that inhomogeneous elastic strains, which exist in the vicinity of the twin-domain-wall/surface junctions due to the rotostriction coupling, decrease the local band gap via the deformation potential and flexoelectric coupling mechanisms. This is the direct mechanism of the twin-wall static conductivity in ferroelastics and, by extension, in multiferroics and ferroelectrics. On the other hand, flexoelectric and rotostriction coupling leads to the appearance of the improper polarization and electric fields proportional to the structural order parameter gradient in the vicinity of the twin-domain-wall/surface junctions. The flexoroto fields leading to the carrier accumulation are considered as an indirect mechanism of the twin-wall conductivity. Comparison of the direct and indirect mechanisms illustrates a complex range of phenomena directly responsible for domain-wall static conductivity in materials with multiple order parameters.« less

Authors:
 [1];  [2];  [3];  [4];  [3];  [3];  [4]
  1. National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine). Inst. for Problems of Materials Science
  2. National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine). Inst. of Physics (ISP)
  3. Pennsylvania State Univ., University Park, PA (United States). Dept. of Material Sciences and Engineering
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1362189
DOE Contract Number:  
AC05-00OR22725; DMR-1210588; DMR-0908718; DMR-0820404
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 86; Journal Issue: 8; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Citation Formats

Eliseev, Eugene A., Morozovska, Anna N., Gu, Yijia, Borisevich, Albina Y., Chen, Long-Qing, Gopalan, Venkatraman, and Kalinin, Sergei V. Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling. United States: N. p., 2012. Web. doi:10.1103/PhysRevB.86.085416.
Eliseev, Eugene A., Morozovska, Anna N., Gu, Yijia, Borisevich, Albina Y., Chen, Long-Qing, Gopalan, Venkatraman, & Kalinin, Sergei V. Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling. United States. https://doi.org/10.1103/PhysRevB.86.085416
Eliseev, Eugene A., Morozovska, Anna N., Gu, Yijia, Borisevich, Albina Y., Chen, Long-Qing, Gopalan, Venkatraman, and Kalinin, Sergei V. 2012. "Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling". United States. https://doi.org/10.1103/PhysRevB.86.085416.
@article{osti_1362189,
title = {Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling},
author = {Eliseev, Eugene A. and Morozovska, Anna N. and Gu, Yijia and Borisevich, Albina Y. and Chen, Long-Qing and Gopalan, Venkatraman and Kalinin, Sergei V.},
abstractNote = {The electronic and structural phenomena at the twin domain walls and wall-surface junctions in the ferroelastic materials are analyzed. Carriers accumulation caused by the strain-induced band structure changes originated via the deformation potential mechanism, structural order parameter gradient, rotostriction and flexoelectric coupling is explored. Approximate analytical results show that inhomogeneous elastic strains, which exist in the vicinity of the twin walls surface junctions due to the rotostriction, decrease the local band gap via the deformation potential and flexoelectric coupling mechanisms. This is the direct mechanism of the domain walls static conductivity in ferroelastics and, by extension, in multiferroics and ferroelectrics. On the other hand, flexoelectric and rotostriction coupling leads to the appearance of the improper polarization and electric fields proportional to the structural order parameter gradient in the vicinity of the twin walls surface junctions. The flexo-roto fields leading to the carrier accumulation are considered as indirect mechanism of the twin walls conductivity. Comparison of the direct and indirect mechanisms illustrates complex range of phenomena directly responsible for domain wall static conductivity in materials with multiple order parameters.Electronic and structural phenomena at the twin-domain-wall/surface junctions in the ferroelastic materials are analyzed. Carriers accumulation caused by the strain-induced band structure changes originated via the deformation potential mechanism, structural order parameter gradient, rotostriction, and flexoelectric coupling is explored. Approximate analytical results show that inhomogeneous elastic strains, which exist in the vicinity of the twin-domain-wall/surface junctions due to the rotostriction coupling, decrease the local band gap via the deformation potential and flexoelectric coupling mechanisms. This is the direct mechanism of the twin-wall static conductivity in ferroelastics and, by extension, in multiferroics and ferroelectrics. On the other hand, flexoelectric and rotostriction coupling leads to the appearance of the improper polarization and electric fields proportional to the structural order parameter gradient in the vicinity of the twin-domain-wall/surface junctions. The flexoroto fields leading to the carrier accumulation are considered as an indirect mechanism of the twin-wall conductivity. Comparison of the direct and indirect mechanisms illustrates a complex range of phenomena directly responsible for domain-wall static conductivity in materials with multiple order parameters.},
doi = {10.1103/PhysRevB.86.085416},
url = {https://www.osti.gov/biblio/1362189}, journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 8,
volume = 86,
place = {United States},
year = {Wed Aug 08 00:00:00 EDT 2012},
month = {Wed Aug 08 00:00:00 EDT 2012}
}

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