Messages

1

Scripts, Tutorials and Applications / Re: incommensurate interface

« on: March 16, 2016, 16:42 »

Dear Dr. Ulrik,


I definetly do what you suggest. But it seems my way to construct the incommensurate interface by changing settings in "Set Matching parameters" in interface menu is reasonable.

Thanks a lot. İt is now more clear for me..

Regards,
ipek

2

Scripts, Tutorials and Applications / Re: incommensurate interface

« on: March 16, 2016, 10:53 »

Dear Dr.Ulrik,

I really appreciate for your help.  My reference article is  DOI: 10.1103/PhysRevB.84.085449. This article constructs an incommensurate Graphite/Sb interface.
And they claim that in that interface the friction is too low.
I am trying to reproduce their results.
But I can not achive to produce their interface they have given in that paper. Am I missing something while constructing the interface?

Thank you for your valuable contributions..

regards,

ipek

3

Scripts, Tutorials and Applications / Re: incommensurate interface

« on: March 16, 2016, 09:25 »

Dear Dr.Ulrik,


Thank you for your reply. Actually, I have been tryingto construct an incommensurate interface of Graphite and Sb(111).
I am changing matching parameters from "set matching parameters"menu.
İf rotation angle is big enough and strain is in a reasonable range, then can we say that all interfaces satisfying these conditions can be regarded as incommensurate interface.?
This also means that if strain is too low, the interface should be commensurate one..

I am attaching my interface constructed by interface menu of VNL. Can I say that my interface is insommensurate one?

Thank you very much.

Regards,,

ipek

4

Scripts, Tutorials and Applications / incommensurate interface

« on: March 15, 2016, 12:52 »

Dear QuantumWise users and developers,

I have been trying to figure out how to construct incommensurate interface of two different slabs for a while.

Actually, I have tried to use the tutorial dealing with the commensurate graphene interfaces. As I understood from the literature, incommensurate interface means that symetry points of two material do not match.
So if I construct the interface using the interface builder then set matching parameters such that rotation between cells is big enough not to match symetry points (high strain as well), then it will end up with incommensurate interface...
Am I right?
Could you shed light on this? I would appreciate any help.

best,

ipek

5

General Questions and Answers / Au cluster with truncated octahedron symetry

« on: March 10, 2015, 15:33 »

Dear quantum wise team,

I have just obtained the quota to be able to purcahese the VNL code. Although I do not have a licence for code (actually except trial one), I wonder if it is possible to generate Au cluster with truncated octahedral symetry using VNL.
Could you please explain the steps to be able to generate cluster with defined symetry, if it is possible?
Thanks for advance and supporting science.

Regards,

ipek