OLIFE: Tight Binding Code for Transmission Coefficient Calculation

Abstract

A new and human friendly transport calculation code has been developed. It requires a simple tight binding Hamiltonian as the only input file and uses a convenient graphical user interface to control calculations. The effect of magnetic field on junction has also been included. Furthermore the transmission coefficient can be calculated between any two points on the scatterer which ensures high flexibility to check the system. Therefore Olife can highly be recommended as an essential tool for pretesting studying and teaching electron transport in molecular devices that saves a lot of time and effort.

Quantum interference in monocyclic molecules: A novel and straightforward phase wave model

“…All the above-mentioned PWM rules are clearly described in the cases of four molecules with different sizes: benzene, cycloheptatriene, cyclooctatetraene, and [10]annulene. Moreover, the electronic transmission of the model system was calculated using Olife code [31] that is incorporated Hückel Hamiltonians with Green's function method [32,33]. Hückel Hamiltonians mainly consist of the diagonal onsite elements and off-diagonal hoping elements.…”

Transmission of a single impurity system: a comprehensive pedagogical tutorial

“…Molecular electronics represents the field that deals with the electrical and thermal properties of a molecule confined between two conductive electrodes [1][2][3]. Consequently, this field typically aims to accurately calculate the molecular electronic transmission coefficient, T(E), which is the dimensionless probability of the electron tunneling from one lead to the other via a molecule.…”

Precise control of single-phenanthrene junction’s conductance

“…Olife [54] to deal with nearest-neighbor TB models. Both Olife and Gollum exploit the same approximation; however, Olife is much easier code than Gollum especially with its build-in Graphical User Interface (GUI).…”