How to calculate the Fermi surface nesting function

I
Thread starter cdm
Start date Feb 12, 2023
Tags

Fermi Fermi surface Function Surface

In summary, the Fermi surface nesting function is a mathematical function used to analyze the electronic band structure and physical properties of materials. It is calculated by taking the Fourier transform of the electron density in reciprocal lattice space and provides information about the nesting vector and strength of nesting. This function plays a crucial role in determining electronic and magnetic properties, but has limitations such as assuming a perfectly periodic lattice and not considering electron-electron interactions.

Feb 12, 2023

cdm

TL;DR Summary: I have seen some papers about fermi surface nesting function. I know the specific form of the function.However, I don't know how to write the code to plot the image based on my result of Quantum Espresso package.

1. What is the Fermi surface nesting function?

The Fermi surface nesting function is a mathematical quantity used to describe the degree of overlap between two or more Fermi surfaces in a crystal lattice. It is used to study the electronic properties of materials and can provide insight into their behavior under different conditions.

2. How is the Fermi surface nesting function calculated?

The Fermi surface nesting function is calculated by taking the Fourier transform of the Fermi surface and then integrating over the Brillouin zone. This involves summing up the contributions from all the different wavevectors that make up the Fermi surface.

3. What factors affect the value of the Fermi surface nesting function?

The value of the Fermi surface nesting function is affected by several factors, including the shape and size of the Fermi surface, the crystal structure of the material, and the temperature and magnetic field conditions. It can also be influenced by the presence of impurities or defects in the material.

4. Why is the Fermi surface nesting function important in materials research?

The Fermi surface nesting function is important in materials research because it provides valuable information about the electronic properties of materials. It can help researchers understand the behavior of materials under different conditions, such as temperature and magnetic field, and can also provide insight into the mechanisms behind certain phenomena, such as superconductivity.

5. Are there any limitations to using the Fermi surface nesting function?

Yes, there are limitations to using the Fermi surface nesting function. It is based on certain assumptions and simplifications, such as treating the electrons as non-interacting particles. In reality, electron-electron interactions can significantly affect the Fermi surface and the nesting function. Additionally, the accuracy of the calculations can also be affected by the quality of the experimental data used to determine the Fermi surface.