Effective mass computation from band structure curve

in this video, we will learn how to calculate the effective mass through the band structure using a simple numerical method
for the band structure, castep code was used
For numerical process, we used the original pro software

[@raj12591]

If possible can you please add english subtitles? Thank you so much!!!

[@physics_university7016]

بارك الله فيك و شكرا على مشاركتك للمعلةمات المهمة جزاك الله خير

[@saimurarnab2270]

Your video was really helpful. Thank you

[@FarmanUllah-up4gq]

Nice work Appreciated....

[@winner9]

بارك الله فيك

[@seluna91]

Hi, thank you very much for this vid! Could you tell me why you are fitting parabola and for what we need C from that fitting? Do you use it somewhere?

[@hb8540]

Hello, thanks for the video, could you please help with the conversion from quantum espresso, a little confused, I'm getting wrong effective mass

[@yisehakg5039]

Thank you !! That saved me a lot of time. Can you post the referred paper shown in your slide?? Is it like this " Physica B: Physics of COndensed matter 585 (2020) 4121 "....??

[@chho8208]

Very helpful video! Thank you so much! I have two questions about calculating the second derivative of energy with respect to k: I noticed at 15:11, the x-axis spacing is 0.001. Is it because the k-separation is 0.001 at 12:30? Also in the raw data of band structure (at 14:45), the spacing on x-axis is not the same as k-separation. What's the relation between the spacing and k-separation? Thank you in advance.

[@fadlamoh]

I used 0.001 Å-1 as separation between consecutive k points

[@effortlessscientificresear2514]

Nice work brother. could you please explain to us how we can determine the conduction band minimum and the valence band maximum related to the vacuum level, from the band structure. Thanks in advance, good luck

[@fadlamoh]

Hi is not possible for a simple bulk calculation you should do a slab calculation create a vacuum slab (30 A). calculate the energy difference between one core state in the middle of your layers (behave as bulk) and do a bulk calculation, align MVB with respect to the same core state.

[@oscaralbertolg1397]

Has anyone tried to employ this method to a different band structure? I've tried with the band structure of a different compound without good results.

[@user-uv7pn9hx3d]

Can you set English subtitles? Thank you.

[@bharatthapa4829]

Why you did not divide by lattice constant in 2*pi/'a', instead you simply assumed lattice constant is 1 Angstrom, right?

[@fadlamoh]

because I use 0.01 Å-1 as separation between consecutive k-points