Optimizing Metal-Organic Chemical Vapor Deposition for Ultrawide Band-Gap MgSiN2 Thin Films (2504.00875v1)

Abstract: Orthorhombic II-IV nitride semiconductors offer an expanded and more tunable material set with unique properties, while maintaining close compatibility with the wurtzite crystal structure of the III-nitrides. In particular, MgSiN2, a II-IV nitride closely lattice matched to GaN and AlN has a band gap suitable for photonic applications in the UV-C wavelength region. MgSiN2 is also a promising candidate to exhibit ferroelectricity, which has only been observed in very few nitride materials. This study builds on our previous work on the metal-organic chemical vapor deposition (MOCVD) of MgSiN2 thin films grown on GaN-on-sapphire and c-plane sapphire substrates by exploring higher growth temperature windows, resulting in higher crystalline quality and improved interfaces. Correlations between the growth conditions (Mg:Si precursor molar flow rate ratio, reactor pressure, and growth temperatures from 900C to 960C) and the resultant film quality are investigated for films grown on GaN-on-sapphire. High-resolution transmission electron microscopy (HR-TEM) reveals high-quality orthorhombic single-crystal MgSiN2, confirming successful epitaxial growth on GaN. Optical transmittance measurements indicate the direct band gap is 6.34-6.36 eV and indirect band gap is 5.77-5.81 eV, affirming the realization of an ultrawide-band gap II-IV nitride semiconductor that is structurally compatible with existing III-nitride device platforms.