Abstract
Comprehensive simulations of phonon dispersions ωj(q→SL) and atomic displacements are reported for short-period (AlSb)n/(GaSb)m superlattices (SLs) using a modified linear-chain model. A bond-polarizability methodology is employed for exploring the impact of meticulously included interfacial thickness Δ (≡1–3 monolayers) on the Raman intensity profiles of graded SLs in the optical phonon region. Results of ωj(q→SL) are also presented by exploiting a realistic rigid-ion-model (RIM) and considering short-range, long-range Coulomb interactions and SL symmetry. Besides the anisotropic behavior of optical phonons, the RIM provided evidence of the acoustic-mode anticrossing, minigap formation, confinement, and interface modes. Controlling the vibrational traits by altering a number of monolayers (n, m) in SLs can provide excellent opportunities for improving the electrical and thermal properties of Sb-based materials for engineering various electronic device structures.
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