Thanks a lot Prof. Laurence Mark  and Delamora.I will study more and report 
back if there is any problem.
With kind regards.
Lawal 

 

    On Monday, April 29, 2019, 1:27:18 AM GMT+8, Laurence Marks 
<l-ma...@northwestern.edu> wrote:  
 
 To generate such a superstructure you need to work out (aided by experiment) 
the relevant epitaxial relationship between the two, then create the 
appropriate nxm 2D semicoherent interface and extend in the third direction to 
a periodic structure.
This is a complex problem in bicrystallography. If you do not understand the 
terms above, enter "semi coherent interfaces" into Google and start reading!

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody else 
has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu
On Sun, Apr 28, 2019, 17:23 delamora <delam...@unam.mx> wrote:

I suppose that you have TiO2 rutile, and ZnO rocksalt, so what do you mean by 
one layer?Also, they have very different unit cell parameters TiO2; 4.57, 4.57, 
2.93, ZnO; 3.81, so how can you put them one on top of the other?

Let me rewrite the question. We want to make a heterostructure of TiO2/ZnO, 
just two layers for now. Your response is highly appreciated.
Kind regards
Lawal



On Sunday, April 28, 2019, 7:01:09 AM GMT+8, delamora <delam...@unam.mx> wrote:

 Dear Developers and Users,
I need your help to generate unit cell of a semiconductor structure of two 
layers of different materials. Any hint is highly 
appreciated.....................................Your question is not clear... 
There are many possibilitiesDo you want to put two layers? What materials do 
you want to put? Maybe you put two semiconductors, but together they are not 
semiconductors
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