Dear Dr.topsakal I read your calculation about 8AGNR. If it possible please reply to my some questions. 1-You has used buffer atoms,but we know that buffer atoms positions are before electrodes.In your scattering file, electrode are sited in the first of the structure. 2- How do you define gap?It is done beneficial of Transmission or DOS files? 3-Is there direct relation between T and DOS spectrums and gap? For example at 0.4V, T shows gap while DOS has nonzero value around fermi energy but there is agreement between them at 0.0 eV 4-In electrode calculation,it has gap,but DOS has nonzero value around fermi energy. Is it true? by best wishes
Zihab Sohbatzadeh, PhD Student, Dept. of Physics, Faculty of Science, Ferdowsi University of Mashhad , Mashhad , Iran . Mobile: +98 9153490795 Phone: +98 511 8818534 Fax : +98 511 8796416
