Polymer as a function of monomer: Analytical quantum modeling

التفاصيل البيبلوغرافية
العنوان: Polymer as a function of monomer: Analytical quantum modeling
المؤلفون: Nakhaee, Mohammad, Ketabi, S Ahmad
سنة النشر: 2016
المجموعة: Condensed Matter
Physics (Other)
مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Atomic and Molecular Clusters, Physics - Chemical Physics, Physics - Computational Physics, J.2.9, J.2.4
الوصف: To identify an analytical relation between the properties of polymers and their's monomer a Metal-Molecule-Metal (MMM) junction has been presented as an interesting and widely used object of research in which the molecule is a polymer which is able to conduct charge. The method used in this study is based on the Green's function approach in the tight-binding approximation using basic properties of matrices. For a polymer base MMM system, transmission, density of states (DOS) and local density of states (LDOS) have been calculated as a function of the hamiltonian of the monomer. After that, we have obtained a frequency for LDOS variations in pass from a subunit to the next one which is a function of energy.
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/1608.04102
رقم الأكسشن: edsarx.1608.04102
قاعدة البيانات: arXiv