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Messages - tara95

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General Questions and Answers / band diagram
« on: August 6, 2018, 15:54 »
How to get a band diagram in ATK 2014 package.

General Questions and Answers / Re: defect in structure
« on: June 29, 2018, 13:20 »
Thank you for your answer
How do I optimize the position of atoms?

General Questions and Answers / defect in structure
« on: June 28, 2018, 11:26 »
I do not know that to create a defect in the structure
first,  I need to relax the perfect structure and then create a defect
I need to create defect in structure and then  to relax.
Which is the right way?

General Questions and Answers / Re: vacuum level
« on: January 26, 2018, 19:41 »
So to adjust the vacuum level, I need to change the lattice parameters to make the ribbon spacing equal to 15 Angstroms.
What should I do now to simulate the same material as the vacuum is 15 Angstroms and the dielectric thickness is 20 Angstroms? Should I change the lattice parameter again to create a 20-angstrom space? I'm really confused. Please help me

General Questions and Answers / Re: vacuum level
« on: January 26, 2018, 14:36 »
That is, if I considered a ribbon, its distance from the next ribbon in the same direction is 15 or 12 angstroms?
So if I want to design a device that uses a dielectric for those 15 angstroms and a gate thickness of 5 angstroms, how can it be done with the 12-angstrom expressed? Are these two related?

General Questions and Answers / vacuum level
« on: January 26, 2018, 13:55 »
in a paper says :  A vacuum thickness of 12 Å in the x-direction and
a vacuum thickness of 15 Å in the y-direction are used to
decouple the periodic images .
How do I do this?

General Questions and Answers / Re: log file
« on: January 3, 2018, 13:54 »
The image below shows the program is running.

General Questions and Answers / Re: log file
« on: January 2, 2018, 10:29 »
the program is runing now but nothing is appeared in log file for me.

General Questions and Answers / log file
« on: January 1, 2018, 15:33 »
Why does not my log files appear to me and the log file is as follows.

General Questions and Answers / Re: I-Vg curve
« on: December 19, 2017, 17:20 »
It does not seem to use from the first program data to plot a I-Vg curve, so the program needs to be corrected and I need to guide you. please help me

General Questions and Answers / Re: I-Vg curve
« on: December 19, 2017, 14:35 »
Thank you for your attention. I received the desired result from the first program (related to transmission calculations), but the second one (related to current calculations) doesn't work properly.

General Questions and Answers / Re: I-Vg curve
« on: December 18, 2017, 12:14 »
please can you guide me?
 I attach two python scripts  to get I-Vg curve at drain bais 0.5 v. Is the python scripts  correct?

General Questions and Answers / Re: I-Vg curve
« on: December 16, 2017, 22:01 »
Do you mean  following file؟
# Define names of output files
filenamec = ''
filenamea = ''

# Read the zero bias calculation
device_configuration = nlread('', DeviceConfiguration)[0]

# Get the calculator
calculator = device_configuration.calculator()

# Set the source-drain voltage of the calculator
calculator=calculator(electrode_voltages=(0*Volt, 0.5*Volt))

# Get the metallic regions
metallic_regions = device_configuration.metallicRegions()
# Define positive bias voltages

#make loop
for gate_voltage in gate_voltage_list:
    # Change the gate voltages
    new_regions = [m(value = gate_voltage) for m in metallic_regions]

    # Set new calculator with modified electrode voltages on the configuration
    # use the self consistent state of the old calculation as starting input.
    nlsave(filenamec, device_configuration)

    electrostatic_difference_potential = ElectrostaticDifferencePotential(device_configuration)
    nlsave(filenamea, electrostatic_difference_potential)

General Questions and Answers / I-Vg curve
« on: December 16, 2017, 19:40 »
I want to plot Id-Vg curve for my transistors but I do not know  how to write python code for drain current vs gate voltage.please help me

General Questions and Answers / germanene nanoribbon
« on: December 1, 2017, 15:56 »
In ATK, how can we build a zig-zag and an armchair germanene nanoribbon?

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