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### Messages - tara95

Pages: [1] 2
1
##### General Questions and Answers / band diagram
« on: August 6, 2018, 15:54 »
hi
How to get a band diagram in ATK 2014 package.

2
##### General Questions and Answers / Re: defect in structure
« on: June 29, 2018, 13:20 »
How do I optimize the position of atoms?

3
##### General Questions and Answers / defect in structure
« on: June 28, 2018, 11:26 »
hi
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
or
I need to create defect in structure and then  to relax.
Which is the right way?

4
##### 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

5
##### 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?

6
##### General Questions and Answers / vacuum level
« on: January 26, 2018, 13:55 »
hi
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?

7
##### General Questions and Answers / Re: log file
« on: January 3, 2018, 13:54 »
The image below shows the program is running.

8
##### 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.

9
##### General Questions and Answers / log file
« on: January 1, 2018, 15:33 »
Hi.
Why does not my log files appear to me and the log file is as follows.

10
##### 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
thanks

11
##### 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.

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

13
##### 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 = 'gatescan_conf.nc'
filenamea = 'gatescan.nc'

# Read the zero bias calculation

# 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
gate_voltage_list=numpy.arange(10)*0.1*Volt

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

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

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

14
##### General Questions and Answers / I-Vg curve
« on: December 16, 2017, 19:40 »
Hi,
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

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

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