Messages

1

General Questions and Answers / Re: Bandstructure of graphene

« on: April 17, 2020, 23:32 »

For NEGF you can go through the lecture series by Prof. Supriyo Datta (Purdue University).
For a better understanding in the DFT you can refer some books like DENSITY FUNCTIONAL
THEORY by DAVID S. SHOLL.
 Regards,
Abhishek Kumar

2

General Questions and Answers / Dipole Transition probability

« on: September 5, 2019, 21:29 »

Dear sir,
How to calculate the dipole transition probability in Quantumwise ATK?

3

General Questions and Answers / Re: Nanorod in Quantumwise-ATK

« on: June 12, 2019, 11:51 »

Dear Sir,
First of all thanks for your reply. Right now I am using the 2017 version of the Quantum-ATK.

Thanks

4

General Questions and Answers / Nanorod in Quantumwise-ATK

« on: June 8, 2019, 12:51 »

Dear Quantumwise team,
How to make the nanorod configuration of any material in quantumwise-ATK?

Thanks

5

General Questions and Answers / Supercell and unit cell

« on: January 29, 2019, 11:21 »

What is the difference between a unit cell and supercell?

6

General Questions and Answers / Electrochemical potential and fermi energy

« on: September 15, 2018, 19:13 »

What is the difference between fermi energy and electrochemical potential ?
According to Book Introduction to solid state physics (by Charles Kittel) at absolute zero the chemical potential is equal to the Fermi energy.

7

General Questions and Answers / Re: Effect of Temperature on transmission spectrum

« on: August 25, 2018, 23:43 »

I want to calculate i-v characteristics of a device and I want to see the effect of temperature on its i-v characteristics.

8

General Questions and Answers / Re: Broadening of Fermi-Dirac Distribution

« on: August 25, 2018, 23:26 »

Thanks for reply

9

General Questions and Answers / Broadening of Fermi-Dirac Distribution

« on: August 25, 2018, 21:33 »

What is Broadening in Fermi-Dirac Distribution?

10

General Questions and Answers / Effect of Temperature on transmission spectrum

« on: August 25, 2018, 19:39 »

Dear Sir,

Can we calculate the temperature dependent Transmission spectrum in ATK?

Thanks

11

General Questions and Answers / Re: electrode effects on resistance

« on: July 31, 2018, 14:28 »

Can you please how electrode couple with scattering region?

12

General Questions and Answers / Coupling between electrode and systems

« on: July 31, 2018, 08:40 »

Hello sir, currently i am working on temperature dependent spin transport of 2-d materials. While doing literature survey, i read some papers like : "Thermal spin transport properties based on VS2 monolayer: A first-principles study". But i got confused that how the system couple with the electrodes. Can any one clear my doubt?

13

General Questions and Answers / Re: Spin-orbit -coupling parameter

« on: June 4, 2018, 13:16 »

Thanks for reply

14

General Questions and Answers / Re: Spin-orbit -coupling parameter

« on: June 4, 2018, 12:38 »

Can we include spin-orbit-coupling parameter explicitly while calculating bandstructure?

15

General Questions and Answers / Spin-orbit -coupling parameter

« on: June 2, 2018, 19:18 »

Can we calculate the spin-orbit-coupling parameter of MoS2  by using VNL-ATK?