Røst H.I., Tosi E., Strand F.S., Åsland A.C., Lacovig P., Lizzit S., Wells J.W.

ACS Applied Materials & Interfaces

15 , 18 , - (2023)

High-density structures of subsurface phosphorus dopants in silicon continue to garner interest as a silicon-based quantum computer platform; however, a much-needed confirmation of their dopant arrangement has been lacking. In this work, we take advantage of the chemical specificity of X-ray photoelectron diffraction to obtain the precise structural configuration of P dopants in subsurface Si:P d-layers. The growth of d-layer systems with different levels of doping is carefully studied and verified using X-ray photoelectron spectroscopy and low-energy electron diffraction. Subsequent diffraction measurements reveal that in all cases, the subsurface dopants primarily substitute with Si atoms from the host material. Furthermore, no signs of carrier-inhibiting P-P dimerization can be observed. Our observations not only settle a nearly decade-long debate about the dopant arrangement but also demonstrate how X-ray photoelectron diffraction is surprisingly well suited for studying subsurface dopant structure. This work thus provides valuable input for an updated understanding of the behavior of Si:P d-layers and the modeling of their derived quantum devices. © 2023 The Authors. Published by American Chemical Society