I want to study the effect of electric field on monolayer TMD. Can anyone help what are the flags to be used to apply electric field and how to define polarization direction to apply in parallel and perpendicular direction.
Dear Vaishali,
An (external) electric field is usually implemented in Quantum Espresso input file (pw.x)
as an external linear (sawtooth) potential, in V/Å units. For example 0.5 V/Å is 0.5 × 0.0194469054 = 0.0097234527 in atomic units. Therefore, set input variable (tefield=.true.), for transverse fields or (lelfield=.true.) for longitudinal fields.
What is the command behind the direction of field on the the 2d material ( perpendicular to the surface(z direction) or on the surface(x or y direction)?
What is the command to apply the circular field ? in quantum espresso
thanks in advance.
Muhammad Hamza El-Saba sir, can you please tell if I should add this tefield and eamp in scf.in or bands.in? I'm a bit confused
- Badges
- Science topic
- Similar topics
- Physical Sciences
- Materials Science