Publication
Asymmetric structure of 90 deg. domain walls and interactions with defects in PbTiO3
Nava Setter, Nicola Marzari, Dragan Damjanovic, Ludwig Feigl, Xiankui Wei, Anand Chandrasekaran
2016
Article
2016
Article
Résumé
We investigate the atomistic structure of ferroelastic-ferroelectric 90 degrees domain walls in PbTiO3 with first-principles calculations and high-resolution scanning transmission electron microscopy. We find sharp discontinuities in the variation of lattice parameters across the domain walls. Unexpectedly, the two neighboring domains become asymmetric across the boundary, giving rise to primitive unit cells with large tetragonality ratios (c/a) of the order of 1.11 close to the boundary. The variation of the domain wall structure with respect to strain is demonstrated. We show that oxygen vacancies are attracted to the plane adjacent to the 90 degrees domain wall. The mechanisms of domain wall pinning by oxygen vacancies is explained based on the energy landscape of the vacancies in the presence of the domain interface.
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Concepts associés (19)
Paroi magnétique
Dans un matériau ferromagnétique, une paroi magnétique ou paroi de domaine est une zone de transition entre deux domaines d'aimantation différentes ou domaines de Weiss. En magnétisme, on utilise le terme paroi pour décrire l'interface entre deux domaines magnétiques (ou domaines de Weiss). Chaque domaine est orienté selon un axe d'anisotropie du cristal dans lequel il est présent. La paroi de domaine marque le passage d'une zone aimantée à une autre.
Magnetic domain
A magnetic domain is a region within a magnetic material in which the magnetization is in a uniform direction. This means that the individual magnetic moments of the atoms are aligned with one another and they point in the same direction. When cooled below a temperature called the Curie temperature, the magnetization of a piece of ferromagnetic material spontaneously divides into many small regions called magnetic domains. The magnetization within each domain points in a uniform direction, but the magnetization of different domains may point in different directions.
Single domain (magnetic)
In magnetism, single domain refers to the state of a ferromagnet (in the broader meaning of the term that includes ferrimagnetism) in which the magnetization does not vary across the magnet. A magnetic particle that stays in a single domain state for all magnetic fields is called a single domain particle (but other definitions are possible; see below). Such particles are very small (generally below a micrometre in diameter). They are also very important in a lot of applications because they have a high coercivity.
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