Spin qubits based on Si and Si1–x
Ge
x
quantum
dot architectures exhibit
among the best coherence times of competing quantum computing technologies,
yet they still suffer from charge noise that limit their qubit gate
fidelities. Identifying the origins of these charge fluctuations is
therefore a critical step toward improving Si quantum-dot-based qubits.
Here, we use hybrid functional calculations to investigate possible
atomistic sources of charge noise, focusing on charge trapping at
Si and Ge dangling bonds (DBs). We evaluate the role of global and
local environment in the defect levels associated with DBs in Si,
Ge, and Si1–x
Ge
x
alloys, and consider their trapping and excitation energies
within the framework of configuration coordinate diagrams. We additionally
consider the influence of strain and oxidation in charge-trapping
energetics by analyzing Si and GeSi DBs in SiO2 and strained Si layers in typical Si1–x
Ge
x
quantum dot heterostructures.
Our results identify that Ge dangling bonds are more problematic charge-trapping
centers both in typical Si1–x
Ge
x
alloys and associated oxidation layers,
and they may be exacerbated by compositional inhomogeneities. These
results suggest the importance of alloy homogeneity and possible passivation
schemes for DBs in Si-based quantum dot qubits and are of general
relevance to mitigating possible trap levels in other Si, Ge, and
Si1–x
Ge
x
-based metal-oxide-semiconductor stacks and related devices.