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Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

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Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
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Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
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Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

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Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...
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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...
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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...
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Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
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Post-perovskite Transition in Anti-structure.

Bosen Wang1, Kenya Ohgushi1,2

  • 1Institute for Solid State Physics, University of Tokyo, Kashiwanoha 5-1-5, Kashiwa, Chiba, 277-8581, Japan.

Scientific Reports
|December 1, 2016
PubMed
Summary
This summary is machine-generated.

Researchers discovered new Cr3AX materials exhibiting a post-perovskite transition under ambient pressure, driven by chemical pressure. This finding, linked to the tolerance factor, reveals an intermediate tetragonal phase and may guide ferroelectric searches.

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Area of Science:

  • Materials Science
  • Geophysics
  • Solid State Chemistry

Background:

  • The post-perovskite transition in MgSiO3 is crucial for understanding Earth's deep mantle.
  • Experimental challenges at extreme pressures hinder detailed studies of this transition.
  • Discovering materials with ambient pressure post-perovskite transitions is highly desirable.

Purpose of the Study:

  • To identify novel materials exhibiting the post-perovskite transition under ambient conditions.
  • To investigate the role of "chemical pressure" in driving structural phase transitions.
  • To explore intermediate phases and their implications for material properties.

Main Methods:

  • Synthesis and characterization of Cr3AX (A=Ga, Ge; X=C, N) compounds.
  • Detailed structural analysis using X-ray diffraction and other techniques.
  • Investigation of phase transitions as a function of chemical composition.

Main Results:

  • Cr3AX materials demonstrate a post-perovskite transition at ambient physical pressure, controlled by chemical pressure.
  • The tolerance factor was identified as the critical parameter governing the post-perovskite transition.
  • An intermediate tetragonal perovskite phase, lacking inversion symmetry, was discovered between the cubic perovskite and orthorhombic post-perovskite structures.

Conclusions:

  • Chemical pressure provides a viable route to achieve post-perovskite transitions in new material systems.
  • The tolerance factor is a key determinant for the occurrence of the post-perovskite structure.
  • The discovery of the intermediate tetragonal phase opens avenues for exploring ferroelectric properties in related systems, including MgSiO3.