Find band gap, energy gap for semiconductor using software

In summary, the task is to find band gap and energy gap properties for Thallium Gallium Phosphide using Exciting software on Linux for Windows. The lattice vector values for Thallium Gallium Phosphide can be found in books or calculated using the lattice vector equation, with values of a=5.7489Å, b=2.4394Å, c=5.5370Å, alpha=90, beta=106.5, and gamma=90.
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Homework Statement



I'm using Exciting software, which run in Linux for windows (virtual).
My task is to find band gap, energy gap and so on for semiconductor material using this software. I have to find band gap, energy gap and so on properties for Thallium Gallium Phosphide (TlGaP). To get the value for each properties, i have to put in the lattice vector value in each input calculation, which will calculate by the software. many books have default value for GaP, GaAs and many more so i can just tahe it directly. But,i can't find the value for Thallium Phosphide (TlP).
The problem is, i don't know how to calculate the lattice vector for Thallium Phosphide.



Homework Equations



Lattice vector equation

The Attempt at a Solution



any value from a book or using formula
 
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  • #2
would work. I found the lattice vector equation for TlP a= 5.7489Å, b=2.4394Å, c=5.5370Å alpha = 90, beta = 106.5, gamma = 90
 

Related to Find band gap, energy gap for semiconductor using software

1. What is a band gap and why is it important in semiconductors?

A band gap is the energy range where no electron states are allowed in a material. In semiconductors, this is crucial because it determines the material's ability to conduct electricity. A larger band gap means that the material is an insulator, while a smaller band gap allows for the material to conduct electricity as a semiconductor.

2. How is the band gap of a semiconductor calculated using software?

The band gap of a semiconductor can be calculated using software by analyzing the electronic band structure of the material. This involves determining the energy levels and corresponding band gaps of the material's valence and conduction bands. Various computational methods, such as density functional theory, can be used to accurately calculate the band gap.

3. What factors can affect the band gap of a semiconductor?

The band gap of a semiconductor can be influenced by several factors, such as the type of material, its crystal structure, and any impurities present. Temperature, strain, and electric fields can also alter the band gap. Additionally, the band gap can be engineered by doping the material with specific elements or by creating heterojunctions with other semiconductors.

4. Can the band gap of a semiconductor be measured experimentally?

Yes, the band gap of a semiconductor can be measured experimentally using various techniques such as optical absorption spectroscopy, photoluminescence, and electrical conductivity measurements. These methods involve shining light or applying an electric field to the material and observing its response to determine the band gap.

5. How can a knowledge of the band gap be useful in designing semiconductor devices?

Understanding the band gap of a semiconductor is crucial in designing devices such as transistors, diodes, and solar cells. The band gap determines the material's ability to conduct electricity and allows for the manipulation of its conductivity through doping. This knowledge is also essential in selecting the appropriate semiconductor material for specific applications based on its band gap and other properties.

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