QuantumATK W-2024.09 version released on Sep 9, 2024
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"Actually I cant understand.Kindly help me to calculate the parameters".The 3rd question has already explained by kstokbro. The chemical potential printed out in the log file is the Fermi energy. Please refer to the manual for the usage of "ChemicalPotential()":http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.chemicalpotential.htmlFor the width and length of AGNR and ZNGR, you can estimate them "very very" easily by using the C-C bond length (e.g., d_{C-C}=1.24 angstrom) in graphene. Along the zigzag edge, the periodic length is about sqrt(3) x d_{C-C}. Along the armchair edge, the periodic length is about 3 x d_{C-C}.