Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling
- National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine). Inst. for Problems of Materials Science
- National Academy of Sciences of Ukraine (NASU), Kiev (Ukraine). Inst. of Physics (ISP)
- Pennsylvania State Univ., University Park, PA (United States). Dept. of Material Sciences and Engineering
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
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.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- DOE Contract Number:
- AC05-00OR22725; DMR-1210588; DMR-0908718; DMR-0820404
- OSTI ID:
- 1362189
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 86, Issue 8; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
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