We study electronic conductance through single molecules by subjecting a molecular junction to a time dependent potential and propagating the electronic state in real time using time-dependent density functional theory (TDDFT). This is in contrast with the more common steady-state nonequilibrium Green’s function (NEGF) method. We start by examining quantum scale conductance methods in both the ...

We develop a nonequilibrium Green's function formalism to study magnonic spin transport through strongly anisotropic ferromagnetic insulator contacted by metallic leads. model the as finite-sized one-dimensional chain, with contacts at first and last sites that inject detect in form of magnons. In presence anisotropy, these magnons become elliptically polarized, conservation is broken. show thi...

Mahdi Pourfath, Hans Kosina, and Siegfried Selberherr Institute for Microelectronics, TU Wien, Gußhausstraße 27–29/E360, A-1040 Wien, Austria Email: {pourfath|kosina|selberherr}@iue.tuwien.ac.at Graphite-related materials such as carbon nanotubes (CNTs) and graphene have been extensively studied in recent years due to their exceptional electronic, opto-electronic, and mechanical properties. How...

in this paper, we study the plasmonic thermal conductance of ordered stacks of metallic nanorings in a host material. using second quantized formalism of the random phase approximation, we first determine the dispersion relations of surface plasmon waves on the stacks of nanorings. then, using landauer-buttiker formalism, we determine the coefficient of plasmonic thermal conductance and heat cu...