Tight binding model and bandwidth

In summary, the energy of BCC crystal structures, such as Fe, is dependent on the wave vector kx, ky, kz and model parameter t. The bandwidth, W, can be found by taking the difference between the maximum and minimum values of the band energy. By inspection, it is determined that W = 16t. To find kx, ky, and kz at the band bottom and top, the multiplication of cos functions must result in 1 and -1 respectively. There are 4 solutions for each on the right side of the equation, indicating that there are multiple possibilities for kx, ky, and kz.
  • #1
abdul-pablo
11
0
According to tight binding moment, for BCC crystalographic structures (such as Fe), energy E depends on wave vector kx, ky, kz: E(x) = const - 8t cos(kx * a/2)*cos(ky * a/2)*cos(kz * a/2), where t>0 is the model parameter. What is the bandwidth W in terms of parameter t? Can you find kx, kz, and ky at the band bottom and at the band top?
 
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  • #2
Well you need to find the minimum and maximum value of the band Energy - then W is the difference between them.. The easiest way is probably just by inspection.
 
  • #3
So the maximum is Emax = const + 8t when the multiplication of cos functions gives -1 and Emin = const -8t as the multiplication of cos functions gives 1. It implies that W = 8t - (-8t) = 16t. Now I should find kx,ky and kz fow which that cos functions multiplications results in 1 and -1. I have found 4 solution for 1 on the right side of the equation (having cos on the left one) and 4 solutions for -1 on the right. Is it possible? Am I right?
 

1. What is the tight binding model?

The tight binding model is a mathematical model used to describe the electronic band structure of solids. It takes into account the interactions between neighboring atoms in a solid and helps to explain the movement of electrons within a material.

2. How is the tight binding model different from other models?

The tight binding model is different from other models, such as the free electron model, because it considers the specific energy levels and interactions between atoms within a solid, rather than treating the solid as a collection of independent electrons.

3. What is the significance of the bandwidth in the tight binding model?

The bandwidth in the tight binding model refers to the range of allowed energy levels for electrons in a solid. It is influenced by the electron-electron interactions and the overlap of electron wave functions between neighboring atoms. A larger bandwidth indicates a more delocalized electron state, while a smaller bandwidth indicates a more localized state.

4. How is the bandwidth related to the electronic properties of a material?

The bandwidth has a direct impact on the electronic properties of a material. A larger bandwidth leads to a higher electrical conductivity, while a smaller bandwidth can result in a material being an insulator. The shape of the band structure, determined by the bandwidth, also affects other properties such as optical and magnetic behavior.

5. Can the tight binding model accurately predict the electronic properties of all materials?

No, the tight binding model is a simplified model and can only accurately predict the electronic properties of materials with a relatively simple crystal structure. It does not take into account more complex factors such as defects, impurities, and disorder in a material.

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