Modulating the Combinatorial Target Power of MgSnN₂ via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

Abstract

The unique structural features of many ternary nitride materials with strong chemical bonding and band gaps above 2.0 eV are limited and are experimentally unexplored. It is important to identify candidate materials for optoelectronic devices, particularly for light-emitting diodes (LEDs) and absorbers in tandem photovoltaics. Here, we fabricated MgSnN2 thin films, as promising II–IV–N2 semiconductors, on stainless-steel, glass, and silicon substrates via combinatorial radio-frequency magnetron sputtering. The structural defects of the MgSnN2 films were studied as a function of the Sn power density, while the Mg and Sn atomic ratios remained constant. Polycrystalline orthorhombic MgSnN2 was grown on the (120) orientation within a wide optical band gap range of ∼2.20–2.17 eV. The carrier densities of 2.18× 1020 to 1.02 × 1021 cm–3, mobilities between 3.75 and 2.24 cm2/Vs, and a decrease in resistivity from 7.64 to 2.73 × 10–3 Ω cm were confirmed by Hall-effect measurements. These high carrier concentrations suggested that the optical band gap measurements were affected by a Burstein–Moss shift. Furthermore, the electrochemical capacitance properties of the optimal MgSnN2 film exhibited an areal capacitance of 152.5 mF/cm2 at 10 mV/s with high retention stability. The experimental and theoretical results showed that MgSnN2 films were effective semiconductor nitrides toward the progression of solar absorbers and LEDs.

Ammonothermal Crystal Growth of Functional Nitrides for Semiconductor Devices: Status and Potential

“…The two data points shown for the orthorhombic materials are the wurtzite-equivalent in-plane lattice parameters 𝑎√3 and b/2. Data were obtained from the following references: 6mm-BN [24][25][26], 6mm-AlN [18,[27][28][29], 6mm-GaN [26][27][28][29], 6mm-InN [26][27][28][29], 6mm-MnSnN2 [30], mm2-MgSiN2 [31][32][33][34][35][36], mm2-MgGeN2 [31,[33][34][35][36][37], mm2-MgSnN2 [17,33,34,[38][39][40], mm2-ZnSiN2 [21,23,[41][42][43][44], mm2-ZnGeN2 [21,23,41,42,44], mm2-ZnSnN2 [21,23,40,[44]…”

Synthesis, Properties, and Application of Ultrathin and Flexible Tellurium Nanorope Films: Beyond Conventional 2D Materials

“…For example, it provides excellent control of the purity, composition, and stoichiometry of the film and does so using low substrate temperatures and short deposition times; additionally, it can produce high‐density thin films at a low cost. [ 21 ] In this study, ultrathin and highly flexible hexagon‐shaped Te nanorope arrays were horizontally and uniformly fabricated using RF sputtering on different substrates (polyethylene naphthalate (PEN), glass, and silicon). Single‐layered and multilayered Te nanoropes of different thicknesses (3, 5, 7, 10, 14, and 28 nm) were grown at 25 °C at a low RF power (6 W) for different deposition times (5, 30, 60, 120, 180, and 320 s, respectively).…”