Structures and Quantum Conduction of Copper Nanowires under Electric Fields Using First Principles

Abstract

The ballistic transport properties of Cu nanowires (NWs) under electric fields are investigated using firstprinciples density function theory for future application as interconnects in microelectronics. It is found that as electric field strength increases, the amount of quantum conduction of a nonhelical atomic strand decreases, while that of a helical atomic strand is in an opposite tendency. The changes are decided by the changes of atomic layer distance of the NWs and the related electronic distribution along the axis of the NWs.

Applications of Al Modified Graphene on Gas Sensors and Hydrogen Storage

“…14. From Laudauer formula (Tosatti et al, 2001), the number of bands crossing E f determines the number of conduction channels or the conductivity of CO/graphene system (He et al, 2008;Mares & Van Ruitenbeek, 2005). Therefore, the largest conductivity change induced by the adsorption is found at T =400 K. The performance of CO detection with this material is the best at T =400 K based on the (T) function and conductivity change.…”

“…From it the information whether the hydrogen storage material is fully charged or the adsorbed H 2 molecules are completely released can be obtained. The charge exchanged with the graphene layer can be determined by the conductivity of the graphene layer, which is strongly determined by the DOS at the Fermi level (He et al, 2008;Schedin et al, 2007). The X-dependence of the latter quantity is given in Fig.…”

Density functional theory calculations of the metal-doped carbon nanostructures as hydrogen storage systems under electric fields: A review

“…From it we can obtain information whether the hydrogen storage material is fully charged or the adsorbed H 2 are completely released. The charge exchanged with the graphene layer can be determined by the conductivity of the graphene layer, which is strongly determined by the DOS at the Fermi level [90,91]. The X-dependence of the latter quantity is given in Fig.…”

In silico determination of surface entropy of 1-D copper nanostructures

“…This is on account of their extensive applications in nanoelectronic devices (Nakamura et al 1999;Gelves et al 2006;He et al 2008) and nanoelectromechanical systems (Fan et al 2005;Li et al 2007) in the form of nanorods, nanotubes, nanobeams, nanocantilevers and nanowires. In this context, copper became a widely studied material because of its excellent properties and easy availability at low cost.…”

“…These copper nanostructures are found to exhibit interesting elastic (Liang and Zhou 2003;Liang et al 2005) as well as plastic (Park et al 2006;Ji and Park 2007;Sutrakar and Mahapatra 2008) properties. Besides, they posses peculiar features regarding structural transformations (Guo and Guo 2006;Kang and Hwang 2003), ballistic transport (He et al 2008), melting Zhang and He 2010), vibration and point defects (Kang et al 2002;Onat et al 2009). …”