Utilizing multimodal microscopy to reconstruct Si/SiGe interfacial atomic disorder and infer its impacts on qubit variability

SiGe heteroepitaxial growth yields pristine host material for quantum dot qubits, but residual interface disorder can lead to qubit-to-qubit variability that might pose an obstacle to reliable SiGe-based quantum computing. We demonstrate a technique to reconstruct 3D interfacial atomic structure spanning multiqubit areas by combining data from two verifiably atomic-resolution microscopy techniques. Utilizing scanning tunneling microscopy (STM) to track molecular beam epitaxy (MBE) growth, we image surface atomic structure following deposition of each heterostructure layer revealing nanosized SiGe undulations, disordered strained-Si atomic steps, and nonconformal uncorrelated roughness between interfaces. Since phenomena such as atomic intermixing during subsequent overgrowth inevitably modify interfaces, we measure post-growth structure via cross-sectional high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Features such as nanosized roughness remain intact, but atomic step structure is indiscernible in $1.0\pm 0.4$~nm-wide intermixing at interfaces. Convolving STM and HAADF-STEM data yields 3D structures capturing interface roughness and intermixing. We utilize the structures in an atomistic multivalley effective mass theory to quantify qubit spectral variability. The results indicate (1) appreciable valley splitting (VS) variability of roughly $\pm$ $50\%$ owing to alloy disorder, and (2) roughness-induced double-dot detuning bias energy variability of order $1-10$ meV depending on well thickness. For measured intermixing, atomic steps have negligible influence on VS, and uncorrelated roughness causes spatially fluctuating energy biases in double-dot detunings potentially incorrectly attributed to charge disorder.Comment: 12 pages, 6 figure

Comparison of thermoelectric properties of nanostructured Mg2Si, FeSi2, SiGe, and nanocomposites of SiGe–Mg2Si, SiGe–FeSi2

Thermoelectric properties of nanostructured FeSi2, Mg2Si, and SiGe are compared with their nanocomposites of SiGe–Mg2Si and SiGe–FeSi2. It was found that the addition of silicide nanoinclusions to SiGe alloy maintained or increased the power factor while further reduced the thermal conductivity compared to the nanostructured single-phase SiGe alloy. This resulted in ZT enhancement of Si0.88Ge0.12–FeSi2 by ∼30% over the broad temperature range of 500-950 °C compared to the conventional Si0.80Ge0.20 alloy. The Si0.88Ge0.12–Mg2Si nanocomposite showed constantly increasing ZT versus temperature up to 950 °C (highest measured temperature) reaching ZT ∼ 1.3. These results confirm the concept of silicide nanoparticle-in-SiGe-alloy proposed earlier by Mingo et al. [Nano Lett. 9, 711–715 (2009)]

Structure of Ultrathin Native Oxides on III–Nitride Surfaces

When pristine material surfaces are exposed to air, highly reactive broken bonds can promote the formation of surface oxides with structures and properties differing greatly from bulk. Determination of the oxide structure is often elusive through the use of indirect diffraction methods or techniques that probe only the outermost layer. As a result, surface oxides forming on widely used materials, such as group III-nitrides, have not been unambiguously resolved, even though critical properties can depend sensitively on their presence. In this study, aberration corrected scanning transmission electron microscopy reveals directly, and with depth dependence, the structure of ultrathin native oxides that form on AlN and GaN surfaces. Through atomic resolution imaging and spectroscopy, we show that the oxide layers are comprised of tetrahedra–octahedra cation–oxygen units, in an arrangement similar to bulk θ-Al₂O₃ and β-Ga₂O₃. By applying density functional theory, we show that the observed structures are more stable than previously proposed surface oxide models. We place the impact of these observations in the context of key III-nitride growth, device issues, and the recent discovery of two-dimensional nitrides