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All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

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A first-principles study of As doping at a disordered Si-SiO2 interface.

Fabiano Corsetti¹, Arash A Mostofi

¹CIC nanoGUNE, E-20018 Donostia-San Sebastián, Spain. Departments of Materials and Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, UK.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|December 17, 2013

Summary

Investigating arsenic dopants at silicon-oxide interfaces reveals that local bonding and strain, not quantum confinement, primarily control segregation. This understanding is key for advancing transistor miniaturization.

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Area of Science:

Materials Science
Semiconductor Physics
Computational Chemistry

Background:

Miniaturization of transistors is crucial for modern electronics.
Understanding dopant behavior at semiconductor-oxide interfaces is essential for device performance.

Purpose of the Study:

To investigate the behavior of electrically active arsenic dopants at the silicon-oxide interface.
To determine the factors influencing dopant segregation and the role of interface properties.

Main Methods:

Utilized first-principles density-functional theory (DFT).
Employed a continuous random network Monte Carlo method.
Modeled a realistic, disordered silicon-oxide interface.

Main Results:

Identified energetically favorable atomic sites for arsenic segregation (approx. 10%) within the first few silicon monolayers.
Found that local bonding and strain at the interface are the primary controllers of dopant segregation.
Observed a long-range quantum confinement effect creating an energy barrier, but its influence is secondary to local environmental effects.

Conclusions:

Local atomic environment significantly dictates dopant segregation at silicon-oxide interfaces.
Interface strain can be a factor in controlling dopant energetics.
Findings provide insights for designing next-generation transistors with improved dopant control.