Graphyne device

[Maneesh]

Dear sir

         Kindly help me how to build Graphyne  electrodes for device.
     if convert bulk to device taken left electrode size length 7 Angstrom and right electrode 7 Angstrom.
     why the left electrode shows 0.0048 and 0.07 % and right electrode show 0.0034 and 0.05%.


                                               maneesh
   

[Carsten]

hi maneesh,
i looked at your structure, and it looks ok. in particular, both electrodes have the same length. they might still be too short though.

then, i reproduced your steps, took the central region and clicked Device from Bulk. I manually set both electrodes to 7.0 A.
what you see at the bottom of the window are not the electrode sizes but steps in which you can increase/decrease the central region size, i.e. here you can shift the electrode-central region
boundary. the fact that these steps are different from left to right electrode indicate that the code has difficulties in actually finding good matches based on the periodicity in the z direction.
this is also the reason why you do not see any predefined electrode lengths in the electrode length combo box.

[Anders Blom]

The problem is quite simply that your structure is not periodic in C, at least not enough for the algorithm to detect any pattern of periodicity on which to base the electrodes. There are small differences in the distances between supposedly equivalent atoms.

This usually arises from a geometry optimization where the edges are not kept constrained. You should go back to the original definition of the graphyne structure, repeat it in C without optimization, then it will be easy to make the device. If you want to include optimization, you should first optimize the basic graphyne structure, then repeat it, and again you can make the device.

[saurabh agarwal]

sir
Can I able to know elastic and mechanical properties of graphene. I have to use it in MEMS switch using graphene as a material...