1D materials : DFT study

[Hamza Elkotfi]

hello dear physicists

I will work in my thesis on 1D materials using DFT as a numerical method to find the properietes of these 1D materials
I would be very happy if someone can help me with references (books, links, articles, vedios ...) that could help me to advance in my work

Thank you

 

[ZapperZ]

hello dear physicists

I will work in my thesis on 1D materials using DFT as a numerical method to find the properietes of these 1D materials
I would be very happy if someone can help me with references (books, links, articles, vedios ...) that could help me to advance in my work

Thank you

Shouldn't this be something you should ask your advisor/thesis supervisor?

Zz.

 

[aaroman]

On my blog https://compphys.go.ro I have several posts related with DFT that for now ends up with this: https://compphys.go.ro/dft-for-a-quantum-dot/
I also implemented the code for computing a molecule (and even a material) using local pseudopotentials, but I postponed posting it for a while...

Anyway, I recommend the lecture - Practical DFT - embedded in the blog post (along with the materials), it's very good for understanding DFT at a level which allows you to implement a working program.