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Properties of Transition Metals02:58

Properties of Transition Metals

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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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The conduction of free electrons inside a conductor is best described by quantum mechanics. However, a classical model makes predictions close to the results of quantum mechanics. It is called the theory of metallic conduction.
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An electron moves through the crystal, containing positive ions,...
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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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Overview of Valence Bond Theory
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The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
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Bonding in Metals02:32

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Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
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Related Experiment Video

Updated: Mar 16, 2026

Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
11:10

Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model

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Metal-Insulator Transition in VO_{2}: A DFT+DMFT Perspective.

W H Brito1,2, M C O Aguiar1, K Haule2

  • 1Departamento de Física, Universidade Federal de Minas Gerais, C. P. 702, 30123-970 Belo Horizonte, Minas Gerais, Brazil.

Physical Review Letters
|August 13, 2016
PubMed
Summary

Mott physics is crucial in all vanadium dioxide (VO_{2}) phases. A novel Mott transition mechanism explains the insulating gap opening in VO_{2} monoclinic phases, dependent on electronic temperature.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Vanadium dioxide (VO_{2}) exhibits a metal-insulator transition.
  • Understanding the electronic structure of VO_{2} phases is key to its applications.

Purpose of the Study:

  • Investigate the electronic structure of rutile (metallic) and monoclinic (insulating) VO_{2} phases.
  • Elucidate the mechanism of gap opening in insulating VO_{2} phases.
  • Explore the role of Mott physics in VO_{2} electronic properties.

Main Methods:

  • Fully self-consistent density functional theory (DFT) combined with embedded dynamical mean-field theory (DMFT).
  • Theoretical investigation of electronic structure and correlations.

Main Results:

  • Mott physics is essential across all VO_{2} phases.
  • A distinct mechanism for gap opening is proposed, involving local moment formation and strong intersite correlations.
  • The rutile to M_{1} phase transition is a Mott transition influenced by intersite exchange.
  • The electronic temperature dependence of the gap in the M_{1} phase is demonstrated.

Conclusions:

  • Mott physics governs the electronic behavior of VO_{2}.
  • The proposed mechanism provides a unified understanding of VO_{2} phases.
  • The temperature-dependent gap in the M_{1} phase aligns with experimental observations.