Topics

1

General Questions and Answers / Physical significance of Device Density of States (DDOS) ?

« on: June 11, 2012, 06:17 »

Hi everyone,
Can anyone tell me the interpretation of the DDOS, is the result of the DOS alignment between electrodes and central region at different biases or just the DOS of the entire device. Why does it vary with respect to the gate or electrodes biases?
Can it DDOS be used for the explanation of the I-V characteristics other than Transmission spectrum?

2

Scripts, Tutorials and Applications / How to calculate DOS/band diagram of scattering region for different gate bias.

« on: June 11, 2012, 06:11 »

Hello everyone,
Please help me find out the DOS and band diagram variation corresponding to the scattering region of any MOSFET like device at different gate biases?

3

General Questions and Answers / Variation of E-k diagram for the smallest unit cell to large unit cell bulk?

« on: June 11, 2012, 06:05 »

Hi everyone,
Can someone help me explain the variation of band gap value (Eg), its location with respect to Fermi level, the curvature of valence band minimum and conduction band maximum  and number of valence (conduction) bands below (above) the Fermi level as the bulk grows from smallest unit cell to the unit cell containing more number of smallest unit cells ?

4

General Questions and Answers / Total Energy Interpretation? Total Energy per Unit Cell or per Atom or per bulk.

« on: May 22, 2012, 18:54 »

Hi everyone,

Can someone please explain me the interpretation of 'Total Energy' ? Is it the total energy per Unit Cell or per atom or per whole bulk repeated infinitely as unit cell does ?

5

General Questions and Answers / Details upon Transmission Spectrum Calulation from ATK-DFT package

« on: May 19, 2012, 18:44 »

Hi everyone,
I want to know the physics behind the calculation of Transmission Spectrum from DFT. Please give me the details or suggest me some reference paper for the same.

6

Scripts, Tutorials and Applications / Analyzer script for calcualting Current vs. Gate Voltage variation.

« on: May 18, 2012, 13:20 »

I have generated a netCDF file that only has different gate voltages and corresponding transmission spectrums. I want to plot current vs. gate voltages plot at certain electrode potentials. Can we make such an analyzer's script that does this?
I tried to plot it using default Analyzer's I-V curve but since the voltages of left and right terminals are fixed therefore ATK could not plot the current variations.

7

General Questions and Answers / Analysis for finding out the Hybridization state ?

« on: May 5, 2012, 18:05 »

I am wondering if there is any analysis in ATK by which we can tell the Hybridization state, i.e. whether it is sp, sp2, or sp3 hybridized.
Because this really helps in developing the intuitive understanding of the electronics properties of bulk/device.

8

Scripts, Tutorials and Applications / Boundary Conditions for above and below the gate for my DEVICE?

« on: May 4, 2012, 07:29 »

Can anyone tell me the general criteria for about the boundary conditions for device with gate enabled? I am using the Boundary condition as shown in the attached file corresponding to my device geometry. Is it correct ?
Can you please tell me the effect of dirichlet boundary conditions at the top of the gate (top(B)) and dirichlet at the bottom(bottom(B))?

9

General Questions and Answers / Locating the position of certain band (from band str.) in bulk config?

« on: May 3, 2012, 16:59 »

Is it possible to determine the location of the particular band from band structure in the bulk configuration?

10

Scripts, Tutorials and Applications / Determining Work Function of Metallic/Dielectric Regions for Gate?

« on: May 2, 2012, 18:55 »

Can someone tell me how to determine the work function of Metallic/Dielectric Regions used in Gate?

-- Thankyou