2024/06/27 by Xiaochen Jin, Shunda Chen, Tianshu Li · 1 voice · 6 citations
Engineering · Physics and Astronomy · #Computer science #Condensed matter physics #Heterojunction #Lattice (music) #Materials science #Nanowire Synthesis and Applications #Optoelectronics #Perspective (graphical) #Physics #Semiconductor materials and devices #Semiconductor materials and interfaces
paper · doi:10.1109/jstqe.2024.3419713
published in IEEE Journal of Selected Topics in Quantum Electronics 31(1: SiGeSn Infrared Photon. and), 1-10 (IEEE Photonics Society)
openalex publication_date 2024/06/27 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
Tuning the composition in group IV alloys can significantly change their electronic structures, enabling a broad range of properties for electronic, photonic, and topological applications. As the growth and device design of group IV alloys often require heterostructures, achieving lattice match is crucial for fabricating high-quality heterojunctions. Here, by combiningab initiocalculations and Monte Carlo sampling, we investigate the structures and band offsets of two distinct types of lattice-matched junctions: a traditional SiGeSn/Ge heterojunction, which requires an optimal Si-to-Sn ratio to match the lattice constant of Ge, and a short-range-order (SRO) induced SiGeSn/SiGeSn homo-composition heterojunction composed of two chemically and compositionally identical ternary Si-Ge-Sn alloys but with distinct degrees of SRO. For SiGeSn/Ge heterojunction, our analysis shows significant differences exist in the predicted band offsets between the full first-principles calculations and the commonly adopted empirical models, thus suggesting a high uncertainty for SiGeSn/Ge to function as the proposed type I heterojunction. In contrast, the SRO-induced homo-composition heterojunctions are demonstrated to carry a clear type I band alignment with desirable band offsets that can be tailored through engineering the degree of SRO. The inherent lattice match and chemical homogeneity of the SRO-induced homo-composition heterojunctions offer great advantages and potential for advanced optical applications.