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Related Concept Videos

Ionic Crystal Structures02:42

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Structures of Solids02:22

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
Colors and Magnetism03:02

Colors and Magnetism

Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.

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Structural domain walls in polar hexagonal manganites.

Yu Kumagai1, Nicola A Spaldin

  • 1Department of Materials, Materials Theory, ETH Zurich, Wolfgang-Pauli-Strasse 27, 8093 Zürich, Switzerland. yuuukuma@gmail.com

Nature Communications
|February 28, 2013
PubMed
Summary

We elucidated the structure of domain walls in multiferroic hexagonal manganites. Our findings explain domain wall couplings and topological defects, aiding ferroelectric device design.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Solid State Chemistry

Background:

  • Hexagonal manganites (h-RMnO3) exhibit complex domain structures with nanoscale electrical conductivity at domain walls.
  • Intriguing sixfold topological defects and couplings between ferroelectricity, magnetism, and structural antiphase domains are reported.
  • The detailed structure of these domain walls and the origin of their couplings remained largely unknown.

Purpose of the Study:

  • To elucidate the structure and properties of structural domain walls in hexagonal manganites using first-principles calculations.
  • To understand the origin of couplings between ferroelectricity, magnetism, and structural antiphase domains.
  • To explain observed phenomena like nanoscale conductivity and topological defects.

Main Methods:

  • First-principles electronic structure calculations.
  • Ab initio simulations.
  • Density Functional Theory (DFT) based approaches.

Main Results:

  • Revealed that ferroelectric domain walls in hexagonal manganites are simultaneously antiphase walls.
  • Proposed a mechanism for ferroelectric switching driven by domain wall motion.
  • Suggested a structural model for the observed sixfold topological defects.
  • Predicted topological protection for experimentally observed stripe domains.

Conclusions:

  • The study provides a fundamental understanding of domain wall structures and properties in hexagonal manganites.
  • Findings offer insights into ferroelectric switching mechanisms and topological defect formation.
  • Results pave the way for designing novel multiferroic devices with enhanced functionalities.