[QE-users] Thomas-Fermi Screeing and Friedel Oscillation

[KRISHNENDU MUKHERJEE]

Hello everyone, 

Does Thomas-Fermi screening reduces the Friedel oscillations ? 

Because in R. M. Martin's book of "Electronic Structure, Basic Theory and Practical Methods" in the chapter 5, section 5.1 , subsection "Hatree-Fock approximation" , it is mentioned, that the velocity at the Fermi surface (d epsilon/ dk) is divergent. This divergence can be avoided by screening the Coulomb interaction. And Thoms-Fermi screening is one of the screening model. 

Wheres, in the previous subsection of "Density matrix", Friedel oscillation is mentioned to be due to the sharp variation in the derivative of the Fermi function. 

I am curious about it because I am doing Quantum Espresso calculation for a supercell containing two different type of atoms. 


I am sorry if I have confused between two different effects. 

Thanking you, 
Best regards, 
Krishnendu 


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20241111/561d4d90/attachment.html>