Alia Jabeen

3 Questions 8 Answers 0 Followers

Questions related from Alia Jabeen

How to get the band.dat (band) files in phonopy calculations using VASP?

Hello Dear All I am a new user of VASP (Vienna ab-initio simulation packages) and tried to calculate the phonon using VASP. I get the phonon band structure (after calculations) in image form(.png...

12 December 2023 9,178 6 View

How do electrons transport (electrical conductivity) in layered materials (e.g. Graphene or h-BN) in out-of plane direction?

The layered materials, also called the van der Waals (vdWs) materials, are those having strong in-plane bonding and weak vdWs interactions in out-of-plane directions (e.g. graphene or h-BN). The...

02 February 2023 8,296 2 View

What is the difference between the layered materials and 2D materials?

I am confused about 2D materials and layeredness. Is it necessary for layered materials to be 2D and vice versa? Or the Layeredness / layerness is just an additional property of a few 2D materials.

16 September 2019 833 7 View