Make a heterostructure or interface using Vesta - pt. 1

[@sunatimohanty2686]

Very nice way to approach..good for learning

[@nickelandcopper5636]

Thank you!!

[@PedroRodriguez-ui8sx]

Fine video as usual.

[@nickelandcopper5636]

Thanks Pedro!

[@MRF77]

*Please do some surface calculations of these 111 exposed heterostructure cells using Quantum Espresso in the future videos.*

[@navidhaghmoradi]

Thank you very much for these videos. Could you please prepare a video to prepare graphene oxide structure? with different types of oxygen functional groups?

[@nickelandcopper5636]

Hi, sorry for the late reply. Can you please show me the system? Maybe a reference

[@omermutasim1200]

you saved my life. Thanks a lot
Do you have another video that shows different positions of organic molecule , for example hollow position, .. etc

[@nickelandcopper5636]

I don’t, maybe in the future though. You could just change the coordinates of the molecule in the vasp file

[@harishabibi8991]

Very helpful sir, can you please tell me how to use Graphene as a substrate on CdS

[@sciencecraze]

Sir, is this the ''surface adhesion'' species on a crystal? species or compounds that stick to the surface by adhesion?

[@andrejvidak3380]

@Nickel and Copper
Do you have input file for QE ?

[@yume3844]

Therefore, we can use vesta to replace material studio right?

[@MRF77]

I used the same structure of Au(111) that I cut using your other video, and now I try to transform to 3*3*3 the cell gets bigger the space does NOT populate with Au atoms! Please help!!

[@tanmaykonnur9332]

How did you decide to place the Nitrogen atom 1 Angstrom above the surface? Can we take the distance between the surface and any other diatomic gas to be 1 Angstrom?

[@nickelandcopper5636]

It was just a random guess based on intuition. You should do a geometry relaxation after making a new system anyways, which will optimize the positions of all the atoms to minimum energy

[@abraraminkhan1384]

Dear,
Can Vesta read a text file; like lammps data file format? if the answer is in negative can you help me figuring out how a laamps dara file type (text file) can be imported in VESTA? TIA

[@ibukunolaniyan1072]

Nice Video...Thank you so much...Can you make a video about the heterostructure of Silicon and strontium titanate?

[@nickelandcopper5636]

Hi thanks for the comment. I would need to know the crystal structure and faces that should touch. Ex. Is the interface between 111 surface of silicon and 001 surface of strontium titanate ?

[@ibukunolaniyan1072]

@@nickelandcopper5636 001 surface of silicon and 111 surface of STO

[@nickelandcopper5636]

Thanks. I’ll check to see if it’s possible. Well, it will always be possible, but the cell sizes may need to be enormous. By possible I mean to be able to be made using small supercells of each type

[@nickelandcopper5636]

Can you please tell me the space groups of each crystal

[@ibukunolaniyan1072]

@@nickelandcopper5636 for STO.. Pm-3m.
Silicon Fd-3m
Thanks ❤️❤️❤️

[@mehrez387]

I have a question regarding 2D materials like MoTe2 or WSe2, let's suppose that i have prepared a monolayer of WSe2 using VETSA with a unit cell of 4x4x1, how can i add vacuum to that unit cell? do i need to take periodic boundary conditions into account before using the coordinates and cell parameters into other electronic structure calculation procedures? Thank You!

[@nickelandcopper5636]

Jaafar Mehrez i have a video where I add vacuum to a WSe2 monolayer. Use that structure and expand it to make the 4x4x1

[@arvindpatil7836]

Thank you

[@shahfahad1854]

Dear sir,
Thanks, can we use this file for vasp execution?

[@nickelandcopper5636]

Hi Shah, yes. Any electronic structure software package that takes atomic position coordinates as an input.

[@bilalahmadshiekh9943]

Kindly build a molecule surface interface using vesta

[@nickelandcopper5636]

I apologize for the very late reply. Please suggest a molecule surface interface

[@abd-elrahmanali2509]

thanks again