Messages

1

General Questions and Answers / Issue in Projected Local Density if states

« on: April 28, 2017, 07:01 »

Dear Sir,

I have created Si/SiO2 interface as shown in figure attached, I am plotting the PLDOS. But facing some issues in it.
Like  in the example shown in following link regarding Si/Ag interface, there we can observe that in a bandgap of Silicon there is no states available (shown by black color), and this is true also.
http://docs.quantumwise.com/casestudies/ag_si_interface/ag_si_interface.html#projected-local-density-of-states

But in my case I am not able to see bandgap in silicon as all the energy levels seems to be occupied.
 I am attaching the structure and PLDOS image. Please tell me where I am doing wrong.

2

General Questions and Answers / Re: Energy Bands vs Distance

« on: April 19, 2017, 08:40 »

Ok Sir,
Thanks for an reply.
Now I want to do it in different way.
Suppose I have Silicon Nanowire and I want to change the bond length of Silicon atoms at the surface only. Then please suggest how to do it.
Thanks

3

General Questions and Answers / Re: Energy Bands vs Distance

« on: April 17, 2017, 18:08 »

Thankyou sir for helpful reply.

I want to ask you on more thing.
If I want to provide stress value myself at the interface. How can I do that.
I have stress potential data at interface. I need to provide it myself.
Please help in this regard.


Thanks

4

General Questions and Answers / Re: Energy Bands vs Distance

« on: April 15, 2017, 06:25 »

Please reply soon.

5

General Questions and Answers / Interface between Nanowire and Oxide

« on: April 14, 2017, 07:05 »

Dear Sir,

I want to make interface between Silicon Nanowire and SiO2. I had tried doing in the Interface section by swapping A and B axis. But SiO2 is not covering the whole surface of Nanowire. I am attaching the figure to make it more clear. Please help in this regard.

6

General Questions and Answers / Re: Energy Bands vs Distance

« on: April 14, 2017, 07:00 »

In the image attached, there is non option of PLDOS. Please see that and let me know how to add it.

7

General Questions and Answers / Re: Energy Bands vs Distance

« on: April 13, 2017, 18:22 »

Thanks for Replying.
Do I need to prepare PLDOS Phython file self, or is it available online somewhere.
Please help

8

General Questions and Answers / Energy Bands vs Distance

« on: April 7, 2017, 17:33 »

Dear Sir,

I want to plot Energy Band Diagram( Energy vs Distance). I want to visualize Energy states at the interface. Please help me in doing so.

Thanks