Abstract:Despite III-nitride and silicon carbide being the materials of choice for a wide range of applications, theoretical studies on their quaternary alloys are limited. Here, we report a systematic computational study on the electronic structural properties of (SiC)x (AlN)1−x and (SiC)x (AlN)1−x quaternary alloys, based on state-of-the-art first-principles evolutionary algorithms. Trigonal (SiCAlN, space group P3m1) and orthorhombic (SiCGaN, space group Pmn21) crystal phases were as predicted for x = 0.5. SiCAlN sh… Show more
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