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Energy Bands and Molecular Orbitals

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ABhattacharya
#1
Sep7-13, 06:45 AM
P: 2
Hello, a newbie here. I need to understand the relationship between MO and Energy Bands.

Although i have searched and researched about this topic in Google, but i am yet to understand this part clearly.

It is said that Energy Bands occur as the number of MO increase due to the various atoms that are interlinked in a crystal structure.

But i can't help but wonder.
While K has its σ state fully filled and its σ* state empty, and yet behaves as a conductor
But Si has ∏px and ∏py states partially filled which means when bands form, Si should have some bands which are partially filled and hence should be good conductors while Na should behave more of a semiconductor way... but it is just the opposite. Why?
Attached Thumbnails
Na.jpg   si.jpg  
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DrDu
#2
Sep7-13, 02:03 PM
Sci Advisor
P: 3,593
The diagram you show seems to be for diatomic molecules while the band structure refers to infinitely large crystals. Why do you think the two are comparable?
ABhattacharya
#3
Sep8-13, 10:38 AM
P: 2
Quote Quote by DrDu View Post
The diagram you show seems to be for diatomic molecules while the band structure refers to infinitely large crystals. Why do you think the two are comparable?
Then what should i do to get a clearer picture of the MO and Energy Band conduction??

DrDu
#4
Sep8-13, 01:51 PM
Sci Advisor
P: 3,593
Energy Bands and Molecular Orbitals

Try to understand Bloch's theorem.
http://en.wikipedia.org/wiki/Bloch_wave
Then do some model calculations for one dimensional systems, like e.g. a chain of hydrogen or helium atoms.


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