A Study of Temperature-dependent Properties of N-type delta-doped Si Band-structures in Equilibrium

TL;DR

This paper models the temperature-dependent electronic properties of highly doped n-type delta-doped silicon using a quantum well and tight-binding band model, providing detailed insights into band-structure variations with temperature.

Contribution

It introduces a parallelized self-consistent Schroedinger-Poisson solver with atomistic impurity representation for temperature-dependent analysis of delta-doped silicon.

Findings

Band-structure and Fermi-level vary with temperature.

Comparison with previous studies at room temperature.

Detailed 3-D potential profiles across temperatures.

Abstract

A highly phosphrous delta-doped Si device is modeled with a quantum well with periodic boundary conditions and the semi-empirical spds* tight-binding band model. Its temperature-dependent electronic properties are studied. To account for high doping density with many electrons, a highly parallelized self-consistent Schroedinger-Poisson solver is used with atomistic representations of multiple impurity ions. The band-structure in equilibrium and the corresponding Fermi-level position are computed for a selective set of temperatures. The result at room temperature is compared with previous studies and the temperature-dependent electronic properties are discussed further in detail with the calculated 3-D self-consistent potential profile.