An intrinsic mobility ceiling of Si bulk

TL;DR

This paper uses advanced quantum mechanical simulations to determine the maximum intrinsic mobility of bulk silicon, revealing a fundamental ceiling related to its electronic structure.

Contribution

It provides a first-principles calculation of the intrinsic mobility ceiling of bulk silicon using DFT-NEGFF methods, linking it to the material's effective mass.

Findings

Intrinsic mobility ceiling of 8.4×10^6 cm^2/V·s identified

Mobility limit related to the lowest effective mass in <001> direction

First-principles calculation approach applied to silicon conductance

Abstract

We compute by Density Functional Theory-Non Equilibrium Green Functions Formalism (DFT-NEGFF) the conductance of bulk Si along different crystallographic directions. We find a ceiling value for the intrinsic mobility of bulk silicon of $8.4\cdot10^6 cm^2/V\cdot s$. We suggest that this result is related to the lowest effective mass of the $<001>$ direction.