Solid electron wavefunction localization vs delocalization

In summary, electrons in a solid can either be localized in bonds between atoms according to valence bond theory, or delocalized according to band theory. The description of the wave function in terms of delocalized Bloch functions and localized Wannier functions is equivalent for insulators. This means that for materials such as carbon diamond, which is an insulator, it is still possible to draw a band diagram even though the electrons are localized in bonds.
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In a solid, is electron's wavefunciton confined to a molecular orbital between atoms or is it delocalized and extends over the volume?

According to valence bond theory, electrons are localized in bonds between atoms.

But according to band theory (or Bloch wavefunctions), electrons are delocalized.

If it depends on material, then does it make sense to draw a band diagram for a solid whose electrons are localized to bonds (e.g. carbon diamond)?
 
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Related to Solid electron wavefunction localization vs delocalization

1. What is the difference between solid electron wavefunction localization and delocalization?

Electron wavefunction localization refers to the confinement of an electron to a specific region or location, while delocalization refers to the spread of an electron over a larger region or multiple locations.

2. How does solid electron wavefunction localization affect the properties of a material?

Solid electron wavefunction localization can significantly impact the properties of a material. When electrons are localized, they tend to have stronger interactions with each other and with the atoms in the material, leading to properties such as high conductivity and low resistance. On the other hand, delocalized electrons can contribute to properties such as high thermal and electrical conductivity.

3. What factors influence the localization or delocalization of electron wavefunctions in a solid?

The localization or delocalization of electron wavefunctions in a solid can be influenced by various factors such as the electronic structure of the material, the strength of the electron-electron interactions, and the presence of impurities or defects in the material.

4. Can solid electron wavefunction localization and delocalization be controlled?

Yes, solid electron wavefunction localization and delocalization can be controlled through various methods such as applying external electric or magnetic fields, modifying the chemical composition of the material, or changing the temperature or pressure conditions.

5. How does the concept of solid electron wavefunction localization vs delocalization relate to the band theory of solids?

The band theory of solids explains the electronic structure of materials and predicts their properties based on the energy bands formed by the delocalization of electrons in a solid. The degree of localization or delocalization of electrons can affect the width and shape of these energy bands, thus influencing the properties of the material.

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