Messages

1

General Questions and Answers / band structure of Black phosphorus

« on: March 4, 2015, 17:33 »

Sir,
I am simulating monolayer black phosphorus for bandstructure. Following the specifications from dx.doi.org/10.1063/1.4901998 using DFT-PBE I am getting a bandgap of 0.823eV instead of 0.9eV. what could be the reason for this difference.
Thank you.

2

General Questions and Answers / Editing on Bandstructure analyzer

« on: March 4, 2015, 15:39 »

Sir,
Whenever I edit my energy bands on Bandstructure Analyzer, e.g. If I change the color of energy band near fermi level or zoom it in y-axis to some level, The x-axis label goes off. in place of G,M,K,G it writes 0.2, 0.4, 0.6.. etc..
Thank you.