Spin Dependent and Spin Independent Electron Transport Properties of Isomers for Molecular Electronics and Spintronics Applications

Abstract

The conventional silicon based electronics have the limitation in speed due to the quantum effects at low dimension regime. To overcome this problem, researchers utilizing two dimensional materials, quantum dots and single molecule based devices for electronics and spintronics applications. Out of these, the single molecule based devices functionality are yet to be explored since the current-voltage characteristic of such devices is different from the conventional silicon based devices. Hence, we have to consider the theoretical approaches to understand the electron transport through a single molecular devices. In this research work, we have adopted the Density Functional Theory (DFT) with Non-Equilibrium Green s Function (NEGF) to understand the electron transport properties. Moreover, the molecule determines the electron transport through the molecular devices. Hence, this research work we have calculated the electron transport properties of isomers which have different structure but same composition. In detail, we have analysed the spin dependent and independent electron transport properties of positional isomer, chain isomer, functional isomer and cis-trans isomer newline