Finding the maxima or minima of band-edges?

In summary, the conversation discusses a homework assignment where the person is stuck on a problem involving ∇KE=0 and determining the maxima and minima in relation to indirect and direct band gaps. The expert suggests finding the k values where the gradient is zero in 3D k-space to determine if it is a direct or indirect gap.
  • #1
LaVela
1
0
I'm working on a homework assignment and I'm completely stuck on this last problem. I'm not even sure what ∇KE=0 even means to begin with. I understand the difference between indirect and direct bandgap but I'm just confused on how to find the maxima and minima to determine this. Any help would be greatly appreciated.

Direct Indirect Bandgap.PNG
 
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  • #2
This really should be posted in the HW/Coursework forum.

First of all, don't you remember from your calculus class that a maximum and minimum will have zero gradient? ∇KE=0 is exactly that, except that this is obviously a gradient in 3D k-space. So find the k values for each one of them where the gradient is zero. If the k values you found for each band is the same, then the max and min occurs at the same k values and so, you have a direct band gap. If not, you have an indirect gap.

Zz.
 

1. How do you determine the maxima or minima of band-edges?

To determine the maxima or minima of band-edges, you can use mathematical techniques such as differentiation and optimization algorithms. These methods involve finding the slope or curvature of the band-edge function and using it to locate the points where the function reaches its highest or lowest values.

2. What is the significance of finding the maxima or minima of band-edges?

Finding the maxima or minima of band-edges is important in understanding the electronic properties of materials. The location of these points can provide information about the band structure and energy levels of a material, which is crucial in many fields such as semiconductor technology and material science.

3. What factors can affect the location of the maxima or minima of band-edges?

The location of the maxima or minima of band-edges can be affected by various factors such as the material's composition, crystal structure, and external conditions like temperature and pressure. These factors can alter the band structure and energy levels, resulting in shifts in the location of the band-edge points.

4. Can the maxima or minima of band-edges be predicted or calculated?

Yes, the maxima or minima of band-edges can be predicted or calculated using mathematical models and simulations. These methods can provide accurate estimations of the band-edge points, taking into account the material's properties and external factors. However, experimental data is often needed to validate these predictions.

5. How do the maxima or minima of band-edges affect the properties of a material?

The location of the maxima or minima of band-edges can significantly impact the electronic and optical properties of a material. For example, the position of the band-edge points can determine the material's conductivity, band gap, and absorption spectrum. This information is crucial in designing materials for specific applications such as solar cells and electronic devices.

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