Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

[Lawal Mohammed]

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 
 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  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  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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Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

[Laurence Marks]

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  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 
> 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 possibilities
> Do you want to put two layers? What materials do you want to put? Maybe
> you put two semiconductors, but together they are not semiconductors
>
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 
>
>
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Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

[delamora]

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  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 possibilities
Do 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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Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

[Lawal Mohammed]

Thanks a lot Prof. Delamora for your reply.
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  
wrote:  
 
 #yiv7308072348 P {margin-top:0;margin-bottom:0;} 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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Re: [Wien] Need help to generate unit cell for semiconductor heterostructure

[delamora]

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 possibilities
Do 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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http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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[Wien] Need help to generate unit cell for semiconductor heterostructure

[Lawal Mohammed]

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.
Thanks a lot for your time.
With kind regards.
Lawal 

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