Mechanical properties graphene nanoribbons

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  • Thread starter anahita
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Hi
In calculation the mechanical properties of graphene nanoribbons by tight binding methods should band structure graphene calculated by the DFT and tight binding methods fitted to calculate b parameter. In the tight binding methods hopping parameter changes as follow:
t'_{ppsigma}=t_{ppsigma} exp(-b{l/a0 - 1)) .
Can help me for calculate b??
 

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Thanks for the post! This is an automated courtesy bump. Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?
 

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