QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: ainunK on August 11, 2021, 21:26
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Hi Sir,
Im currently studying CNT schottky diode from this paper "A Comprehensive Atomic Study of Carbon Nanotube Schottky Diode Using First Principles Approach Ping Bai, Kai Tak Lam, Erping Li , Chang, K.K .
I have successfully build the cnt structure and Al atoms separately. Then i created the interface between cnt and Al through interface builder under builders section. However, the structure doesnt look right. I also tried to merge it through merge cells under bulk tools section, to see if i can solve. But the structure is still wrong. Therefore, my question is how to get the device of cnt schottky diode like the one in the paper. How can i make it overlap on the left electrode?
I really hope someone can help and advice me what should i do next. Thank you so much.
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In the Builder->interface builder:
When you have added the two structures there is the option to click "Shift Surfaces" before clicking 'Create'.
If a valid force-field is available the "Shift Surfaces" menu can suggest a displacement (Click calculate displacement).
If not then one needs to manually substract a z-displacement to select a sensible interface distance (which can then be optimized separately if not known from experimental data etc).
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Thankyou Sir for helping me out. :)