Enhanced Atomic Precision Fabrication by Adsorption of Phosphine into Engineered Dangling Bonds on H-Si Using STM and DFT

TL;DR

This study demonstrates a precise method for placing exactly one phosphorus atom in silicon using STM and DFT, advancing atomic-scale doping control for quantum device fabrication.

Contribution

It introduces a robust 1-dimer patch technique for deterministic phosphorus atom incorporation in silicon, improving dopant placement accuracy.

Findings

Single P atom incorporation achieved in all attempts with 1-dimer patches.

STM manipulation enables controlled phosphorus doping at atomic scale.

Proposed method ensures 100% dopant placement yield at targeted sites.

Abstract

Doping of Si using the scanning probe hydrogen depassivation lithography technique has been shown to enable placing and positioning small numbers of P atoms with nanometer accuracy. Several groups have now used this capability to build devices that exhibit desired quantum behavior determined by their atomistic details. What remains elusive, however, is the ability to control the precise number of atoms placed at a chosen site with 100% yield, thereby limiting the complexity and degree of perfection achievable. As an important step towards precise control of dopant number, we explore the adsorption of the P precursor molecule, phosphine, into atomically perfect dangling bond patches of intentionally varied size consisting of 3 adjacent Si dimers along a dimer row, 2 adjacent dimers, and 1 single dimer. Using low temperature scanning tunneling microscopy, we identify the adsorption products by generating and comparing to a catalog of simulated images, explore atomic manipulation after adsorption in select cases, and follow up with incorporation of P into the substrate. For 1-dimer patches we demonstrate that manipulation of the adsorbed species leads to single P incorporation in 12 out of 12 attempts. Based on the observations made in this study, we propose this 1-dimer patch method as a robust approach that can be used to fabricate devices where it is ensured that each site of interest has exactly one P atom.