Theory of Quantum Conductance of Atomic and Molecular Bridges

摘要: Recent topics on theoretical analyses and prediction of the nano-scale structures connected between electrodes are presented with discussions several fundamental issues these systems. Theoretical approaches used first-principles recursion transfer matrix method implemented non-local pseudo-potentials, as well non-equilibrium Green's function technique tight binding bases. The former is utilized for atom wires field emission process. As wire bridges, a very large effect terminal impurity localized bias distribution elucidated. On other hand, latter mainly molecular bridges. significant also found bridge systems, if transport caused by resonant tunneling. In addition, conformational change inside molecule to be sufficiently STM tunneling current. Next, remarkable feature o...