QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: maj7293 on March 8, 2024, 12:28

Title: High Voltage Discrepancy [ electric field calculations ]
Post by: maj7293 on March 8, 2024, 12:28

Hello,

I'm calculating the band structure for a bilayer of MnBi2Te4 and encountering a significant difference in voltage magnitudes compared to literature values.

In Quantum ATK, my understanding is that we have two metallic regions with varying voltages, and the electric field (E) is calculated based on the distance (d) between them using E = v/d. However, applying this voltage doesn't yield a band structure comparable to literature.

For instance, literature reports E = 10 mV/Å. Given a distance between the electrodes of c= 50 Å , I would expect to apply a voltage of 0.05 V. With this value, the calculated band structure doesn't match the literature. Interestingly, increasing the voltage to 10 V brings the results into agreement. I'm unsure why this behavior occurs.

Any help in understanding this would be greatly appreciated.

Thanks!