QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jjhskang on November 7, 2009, 23:32

Title: charge density rho(x,y,z) at an external bias??
Post by: jjhskang on November 7, 2009, 23:32

Hi!

I wonder how I can get the numerical values of charge density rho(x,y,z) in the scattering region as a function of x, y, z  or rho(z) along the current flow at a specific external bias.

I would appreciate you if somebody can answer this question.

Title: Re: charge density rho(x,y,z) at an external bias??
Post by: zh on November 9, 2009, 05:59

The electron density for whole system can obtained by using "calculateElectronDensity". The returned value of "calculateElectronDensity" is an array. The detailed explanation on it can be found in the manual:
http://quantumwise.com/documents/manuals/ATK-2008.10/ref.calculateelectrondensity.html (http://quantumwise.com/documents/manuals/ATK-2008.10/ref.calculateelectrondensity.html).

One can manipulate this array and print out the data in his own style  using Nanolanguage (or Python)