We study the electronic lifetimes in molecular junctions using the Keldysh nonequilibrium Green function (NEGF) model. It is found that two characteristic time scales which govern the electron tunneling phenomena. One is the electronic lifetime in which electronic energy in the molecular electronic state dissipates into the right/left electrode or vibrational mode, the other is the residence ti...

Semiconductor nanowires are possible candidates to replace the metal-oxide-semiconductor field-effect transistors (MOSFET) since they can act both as active devices or as device connectors. In this article, the transmission coefficients of Si and GaAs nanowires with arbitrary transport directions and cross sections are simulated in the nearestneighbor sp3d5s∗ semi-empirical tight-binding method...

This paper places Julian Schwinger’s development of the Euclidean Green’s function formalism for quantum field theory in historical context. It traces the techniques employed in the formalism back to Schwinger’s work on waveguides during World War II, and his subsequent formulation of the Minkowski space Green’s function formalism for quantum field theory in 1951. Particular attention is dedica...

We present, here, advanced DFT-NEGF techniques that we have implemented in our ATOmistic MOdelling Solver, ATOMOS, to explore transport novel materials and devices particular van-der-Waals heterojunction transistors. describe methodologies using plane-wave DFT, followed by a Wannierization step, linear combination of atomic orbital leads an orthogonal non-orthogonal NEGF model, respectively. th...