What is the reason of flat band structure with almost no dispersion?

13 January 2025 1 9K Report

I am trying to calculate band structure of 3x3x3 CsPbI3 supercell with a Pb vacancy at the center. The calculations were performed after exploiting symmetry. However, the bands calculated are flat and I am unable to figure out the reason. I tried increasing k-points mesh and energy cutoff but there has been no improvement.

Can anyone help me on this?

Mahmoud M. Samak

All-flat bands is possible in some periodic structures. This means no energy localization with high intensity instead of normal propagation which can be dealed as a vacuum.

Please take a look on our paper, it can help (Direct Observation of All-Flat Bands Phononic Metamaterials

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