Shape of Orbitals in Periodic Crystals: Hybridization and Energy Bands

In summary, the conversation discusses the structure of orbitals in a solid, specifically in a crystal with a periodic structure. The energy-band-model is mentioned, where each band consists of discrete energy-levels that can be considered continuous. The possibility of "hybrid orbitals" in a crystal is also brought up, and the question of whether they have the same shape as the orbitals in a molecule. The idea of every nucleus contributing one energy-level to each band is mentioned, but the question of why there are different energy-levels in a periodic structure is raised.
  • #1
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I asked myself how the orbitals in a solid look like.
Assume a crystal with a periodic structure, e.g. NaCl. The electrons in the crystal have energys according to the energy-band-model. Every band consists of that much discrete energy-levels that you might nearly call it continous. I know that molecules have hybrid orbitals. For example the H2-molecule has two spatially separated s-orbitals (bonding and anti-bonding), right? Does a crystal also have "hybrid orbitals", i.e. macroscopic orbitals which are as large as the crystal itself? Have the horribly much orbitals, which together build a band, the same shape? Has someone ever computed it for a periodic crystal-structure? I guess not...

Best regards
 
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  • #2
Just thougt of a different picture:

Every nucleous in the solid has its own orbitals i.e. every nucleous contributes one energy-level to every band. But why, in a periodic structure, there are different energy-levels? In NaCl for example every nucleous "sees" the same "environment". Because of symmetry every Na should have the same energy-levels. So no continuous bands...
 
  • #3
Hey why thread closed??
 

1. What determines the shape of orbitals in a solid?

The shape of orbitals in a solid is determined by the arrangement of atoms or molecules in the solid. The electronic structure and bonding between these atoms or molecules also play a role in shaping the orbitals.

2. Are all orbitals in a solid the same shape?

No, the shape of orbitals in a solid can vary depending on the type of bonding and the arrangement of atoms or molecules. Some orbitals may be more spherical in shape, while others may have a more elongated shape.

3. How do the shapes of orbitals affect the properties of a solid?

The shape of orbitals can affect the properties of a solid in several ways. For example, the shape of orbitals can determine the strength and type of bonding between atoms or molecules, which can influence the melting point, electrical conductivity, and other physical properties of the solid.

4. Can the shape of orbitals change in a solid?

In some cases, the shape of orbitals can change in a solid due to external factors such as temperature, pressure, or the presence of other molecules. This can affect the properties of the solid and may result in phase changes or chemical reactions.

5. How do scientists study the shape of orbitals in solids?

Scientists can use various techniques such as X-ray crystallography, electron microscopy, and spectroscopy to study the shape of orbitals in solids. These methods allow researchers to visualize the arrangement of atoms or molecules in a solid and determine the shape of orbitals based on their electronic structure and bonding.

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