Related papers: Simulations of Nanowire Transistors: Atomistic vs.…
For semiconductors used in photovoltaic devices, the effective mass approximation allows calculation of important material properties from first-principles calculations, including optical properties (e.g. exciton binding energies), defect…
The paper reports on top-down nanofabricated Ni3Si2 nanowires and tests of their electron field emission capabilities. The results include low turn on electric field, moderate work function, and the field enhancement factor, customizable…
The conducting and thermodynamic properties of ballistic metallic nanocontacts with smooth shapes are investigated. All properties are related to the electronic scattering matrix, which is evaluated in the WKB approximation for independent…
We report on a study of quasi-ballistic transport in deep submicron, inhomogeneous semiconductor structures, focusing on the analysis of signatures found in the full nonequilibrium electron distribution. We perform self-consistent numerical…
We report an experimental study of one-dimensional (1D) electronic transport in an InSb semiconducting nanowire. Three bottom gates are used to locally deplete the nanowire creating a ballistic quantum point contact with only a few…
The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this work, we develop a transfer learning framework tailored for…
We study macroscopic electrical or thermal conductivity of a composite made of straight or coiled nanowires suspended in poorly conducting medium. We assume that volume fraction of the wires is so large that spaces occupied by them overlap,…
Quantum-confined semiconductor structures are the cornerstone of modern-day electronics. Spatial confinement in these structures leads to formation of discrete low-dimensional subbands. At room temperature, carriers transfer among different…
We have investigated the effect of twisting on electronic band structure, effective mass and carrier mobilities of three prototypes of AGNRs (N=6, 7 & 8) using Density functional theory combined with Deformation potential theory and…
Heat transport in nanoscale systems is both hard to measure microscopically, and hard to interpret. Ballistic and diffusive heat flow coexist, adding confusion. This paper looks at a very simple case: a nanoscale crystal repeated…
Equilibrium structure, local densities of states, and electronic transport in a gold nanowire made of a four-atom chain supported by two gold electrodes, which has been imaged recently by high-resolution electron microscopy, and chemical…
We present a model to study Young's modulus and Poisson's ratio of the composite material of amorphous nanowires. It is an extension of the model derived by two of us [Da Fonseca and Galvao, Phys. Rev. Lett. 92, 175502 (2004)] to study the…
Nanobundle network transistors (NBTs) have emerged as a viable, higher performance alternative to poly-silicon and organic transistors with possible applications in macroelectronic displays, chemical/biological sensors, and photovoltaics. A…
We consider electrons in tubular nanowires with prismatic geometry and infinite length. Such a model corresponds to a core-shell nanowire with an insulating core and a conductive shell. In a prismatic shell the lowest energy states are…
In solving the Schr\"odinger equation to simulate a nanoscale circuit, we note that the mean free path for electrons in some metals is as large as 48 nm. Thus, the wavefunction may propagate coherently through wires corresponding to the…
We calculated the effects of spin-orbit interaction (SOI) on the energy bands, ballistic conductance and the electron-diffusion thermoelectric power of a nanowire by varying the temperature, electron density and width of the wire. The…
Structural transformations, electronic spectra and ballistic transport in pulled gold nanowires are investigated with ab initio simulations, and correlated with recent measurements. Strain-induced yield of an initial double-strand wire…
Moderate amount of bending strains, ~3% are enough to induce the semiconductor-metal transition in Si nanowires of ~4nm diameter. The influence of bending on silicon nanowires of 1 nm to 4.3 nm diameter is investigated using molecular…
We present a tight-binding potential for transition metals, carbon, and transition metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the s, p electrons of carbon and the d electrons…
In this study, we propose a recursive approach to study the transport properties of atomic wires. It is based upon a real-space block-recursion technique with Landauer's formula being used to express the conductance as a scattering problem.…