QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Akash Ramasamy on December 21, 2021, 11:46

Title: Silicene Nanoribbon
Post by: Akash Ramasamy on December 21, 2021, 11:46
i have few questions about the Silicene nanoribbons.
1. I build a silicene nanoribbon from a plugin. Unit cell is a default option i have. Whether it is okay or i have to change it to hexagonal.
2. What is the K_point sampling for the Silicene nanoribbon.What is criteria to choose the value.
3.What is total energy of the system.
4.What is the band gap value for the Both armchair and Zigzag nanoribbon