Oxygen Vacancies Nucleate Charged Domain Walls in Ferroelectrics
| العنوان: | Oxygen Vacancies Nucleate Charged Domain Walls in Ferroelectrics |
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| المؤلفون: | Thomas Olsen, Urko Petralanda, Mads Kruse, Hugh Simons |
| المصدر: | Petralanda, U, Kruse, M, Simons, H & Olsen, T 2021, ' Oxygen Vacancies Nucleate Charged Domain Walls in Ferroelectrics ', Physical Review Letters, vol. 127, no. 11, 117601 . https://doi.org/10.1103/PhysRevLett.127.117601 Physical Review Letters |
| بيانات النشر: | American Physical Society (APS), 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Materials science, Nucleation, FOS: Physical sciences, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, 01 natural sciences, Oxygen, Physics::Fluid Dynamics, Condensed Matter::Materials Science, Vacancy defect, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), 0103 physical sciences, 010306 general physics, Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Condensed matter physics, Materials Science (cond-mat.mtrl-sci), Charge (physics), 021001 nanoscience & nanotechnology, Ferroelectricity, Domain wall (magnetism), chemistry, Domain (ring theory), Electronic conductivity, 0210 nano-technology |
| الوصف: | We study the influence of oxygen vacancies on the formation of charged 180$^\circ$ domain walls in ferroelectric BaTiO$_3$ using first principles calculations. We show that it is favorable for vacancies to assemble in crystallographic planes, and that such clustering is accompanied by the formation of a charged domain wall. The domain wall has negative bound charge, which compensates the nominal positive charge of the vacancies and leads to a vanishing density of free charge at the wall. This is in contrast to the positively charged domain walls, which are nearly completely compensated by free charge from the bulk. The results thus explain the experimentally observed difference in electronic conductivity of the two types of domain walls, as well as the generic prevalence of charged domain walls in ferroelectrics. Moreover, the explicit demonstration of vacancy driven domain wall formation implies that specific charged domain wall configurations may be realized by bottom-up design for use in domain wall based information processing. 10 pages, 7 figures |
| وصف الملف: | application/pdf |
| تدمد: | 1079-7114 0031-9007 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db3d01440ee87b4670fd2a7688f00245 https://doi.org/10.1103/physrevlett.127.117601 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....db3d01440ee87b4670fd2a7688f00245 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 10797114 00319007 |
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