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Electric-field Control of Electronic States in WS2 Nanodevices by Electrolyte Gating

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A Semimetal Nanowire Rectifier: Balancing Quantum Confinement and Surface Electronegativity.

Alfonso Sanchez-Soares¹, James C Greer¹

¹Tyndall National Institute , Dyke Parade, Lee Maltings, Cork, T12 R5CP, Ireland.

|December 15, 2016

Summary

Quantum confinement in semimetal nanowires creates semiconductors for nanoelectronics. Surface chemistry and confinement effects can be tuned to form junctions, enabling molecular-scale diodes with high rectification ratios.

Keywords:

Schottky junction Semimetal nanowire quantum confinement surface chemical modification

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Area of Science:

Materials Science
Condensed Matter Physics
Nanotechnology

Background:

Semimetal nanowires exhibit a semimetal-to-semiconductor transition due to quantum confinement effects as diameter decreases.
Quantum confinement alters band structures, potentially creating semiconductors suitable for nanoelectronic applications.

Purpose of the Study:

Investigate the interplay between quantum confinement and surface chemistry in semimetal nanowires.
Explore the formation of novel semiconductor junctions within monomaterial nanowires.
Calculate the electronic transport properties and rectification capabilities of these engineered junctions.

Main Methods:

Utilized density functional theory (DFT) to determine the electronic structure of semimetal nanowires.
Employed a Green's function approach to calculate charge transport properties.
Simulated current rectification in nanowires with varying surface electronegativity.

Main Results:

Quantum confinement and surface chemistry effects were found to be comparable in magnitude, influencing band gaps.
Abrupt changes in surface chemistry along a nanowire can create semimetal-semiconductor junctions without doping or heterojunctions.
Predicted current rectification ratios of 10^3-10^5 at low applied biases (300 mV).

Conclusions:

Engineered semimetal nanowires can function as efficient diodes at molecular length scales.
The developed junctions rival the performance of macroscopic semiconductor diodes.
This work offers a pathway for creating advanced nanoelectronic devices using conventional materials and biasing.