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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

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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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The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’...
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Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
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Crystal Field Theory
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CFT focuses on...
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Related Experiment Video

Updated: Jun 8, 2025

Plasma-Assisted Molecular Beam Epitaxy Growth of Mg3N2 and Zn3N2 Thin Films
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Nitrogen Complex-Driven Vacancy Cluster in Group-III Nitrides.

Eui-Cheol Shin1, Youngho Kang2, Sang Ho Jeon1

  • 1Samsung Display Co., LTD., Yongin-si 17113, Republic of Korea.

ACS Applied Materials & Interfaces
|November 5, 2024
PubMed
Summary
This summary is machine-generated.

This study reveals new ground states for metal vacancies in group-III nitrides, driven by nitrogen atom migration. Understanding bond character is key to stabilizing these defects in nitride materials.

Keywords:
defectsdensity functional theorygroup-III nitridesmixed ionic−covalent bondnitrogen complexvacancy cluster

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Computational Chemistry

Background:

  • Group-III nitride epilayers exhibit defects like vacancy clusters, impacting material properties.
  • The electronic mechanisms driving vacancy agglomeration in nitrides are not fully understood.

Purpose of the Study:

  • To investigate the electronic mechanisms behind vacancy agglomeration in group-III nitrides.
  • To uncover novel ground states of metal vacancies and their formation dynamics.

Main Methods:

  • Utilized ab initio computational approaches.
  • Analyzed the role of mixed covalent-ionic bond character in defect stability.

Main Results:

  • Identified a new ground state for two metal vacancies driven by nitrogen atom migration.
  • AlN shows exceptionally stable vacancy clusters due to strong ionic character.
  • GaN exhibits less stable clusters due to weaker ionic character.
  • InN forms molecular-like azide anions and a trimer metallic bond, leading to indium migration and a Schottky-Frenkel composite defect.

Conclusions:

  • The mixed covalent-ionic bond character is critical for vacancy cluster stability in nitrides.
  • Novel insights into defect formation in AlN, GaN, and InN.
  • Findings can guide the design of improved nitride-based materials and devices.