Local Energy Dissipation/Transition in Field Effect Molecular Nanoelectronic Systems: a Quantum Mechanical Methodology

Reza Safari,Hassan Sabzyan

Fig. 2 (Color online) Local differential electron density map, $\Delta \rho (S_{i}, \varepsilon )=\sum\limits_{\Omega \in S_{i} }^{N_{S_{i} } } {\rho (\Omega ;\varepsilon )} -{\kern 1pt}\sum\limits_{\Omega \in S_{i} }^{N_{S_{i} } } {\rho (\Omega ;0)} $, obtained for the E-M$_{1}$-E system at EF of $\varepsilon =60\times 10^{-4}~{\rm au}$ strength, determining the donor ($n$-type-like) and acceptor ($p$-type-like) intra-molecular sections, highlighted in red and blue, respectively.