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Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying crystal orientation and surface termination. The copper…
Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an…
Quantization in the inversion layer and phase coherent transport are anticipated to have significant impact on device performance in 'ballistic' nanoscale transistors. While the role of some quantum effects have been analyzed qualitatively…
In ballistic transport, the movement of charged carriers is essentially unimpeded by scattering events. In this limit, microscopic parameters such as crystal momentum, spin and quantum phases are well conserved, allowing electrons to…
Metal nanowires exhibit a number of interesting properties: their electrical conductance is quantized, their shot-noise is suppressed by the Pauli principle, and they are remarkably strong and stable. We show that many of these properties…
The general theory for quantum simulation of cubic semiconductor n-MOSFETs is presented within the effective mass equation approach. The full three-dimensional transport problem is described in terms of coupled transverse subband modes…
Recent experiments on symmetry-broken mesoscopic semiconductor structures have exhibited an amazing rectifying effect in the transverse current-voltage characteristics with promising prospects for future applications. We present a simple…
Capacitance-voltage characteristics of individual germanium nanowire field effect transistors were directly measured and used to assess carrier mobility in nanowires for the first time; thereby removing uncertainties in calculated mobility…
An effective mass based model accounting for the conduction band quantization in a high aspect ratio semiconductor nanotip is developed to describe injected electron transport and subsequent electron emission from the nanotip. A transfer…
We compute both electron- and phonon transmissions in thin disordered silicon nanowires. Our atomistic approach is based on tight-binding and empirical potential descriptions of the electronic and phononic systems, respectively. Surface…
The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular dynamics. The surface relaxation led to surface…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
We introduce a new quantum transport formalism based on a map of a real 3-dimensional lead-conductor-lead system into an effective 1-dimensional system. The resulting effective 1D theory is an in principle exact formalism to calculate the…
The electronic transport and the sensing performance of an individual SnO2 crossed nanowires device in a three-terminal field effect configuration were investigated using a combination of macroscopic transport measurements and Scanning…
The transition from the ballistic electron transport to the diffuse one is experimentally observed in the study of the magnetic phase transition in Ni nanocontacts with different sizes. It is shown that the voltage $U_C$ needed for Joule…
Using the atomistic tight-binding method in combination with symmetry analysis and extended effective mass theory we derive a phenomenological model for the fine structure of the ground electron and hole states in $[111]$-grown PbX, X=S,Se…
We present a simple model to describe the lowest-subbands surface scattering in locally oxidized silicon nanowires grown in the [110] direction. To this end, we employ an atomistically scaled effective mass model projected from a…
In this paper, we develop an explicit model to predict the DC electrical behavior in ultra-thin surrounding gate junctionless nanowire FET. The proposed model takes into account 2D electrical and geometrical confinements of carrier charge…
After making a cold weld by pressing two clean metal surfaces together, upon gradually separating the two pieces a metallic nanowire is formed, which progressively thins down to a single atom before contact is lost. In previous experiments…