L. Tsetseris

Learn More
Transition-metal nitrides (TMN) have exceptional stability, which underlies their use in various applications. Here, we study the role of N point defects on the stability of prototype TMNs using first-principles calculations. We find that distinct regimes for TMN changes relate to specific atomic-scale mechanisms, namely, diffusion of N interstitials(More)
The mechanical elongation of a finite gold nanowire has been studied by molecular dynamics simulations using different semiempirical potentials for transition metals. These potentials have been widely used to study the mechanical properties of finite metal clusters. Combining with density functional theory calculations along several atomic-configuration(More)
The electronic properties of multi-walled carbon nanotubes (MWCNTs) depend on the positions of their walls with respect to neighboring shells. This fact can enable several applications of MWCNTs as nano-electromechanical systems (NEMS). In this article, we report the findings of a first-principles study on the stability and dynamics of point defects in(More)
We investigate the feasibility of using CdTe nanotetrapods as circuit elements using models and simulation at multiple scales. Technology computer-aided design tools are used to simulate the electrical behavior for both metal-semiconductor field-effect transistors and junction field-effect transistors. Our results show that by varying the doping(More)
  • 1