Fig. 3: The distributions of band gap, hull energy, thermal conductivity, electron mobility and figures of merit. | npj Computational Materials

Fig. 3: The distributions of band gap, hull energy, thermal conductivity, electron mobility and figures of merit.

From: Accelerating discovery of next-generation power electronics materials via high-throughput ab initio screening

Fig. 3

a hull energy and bandgap, b bandgap and electron mobility, c electron mobility and thermal conductivity, and d thermal conductivity and Baliga Figure of Merit (BFOM) are plotted for 44 materials with a bandgap greater than 2.8 eV, an electron mobility higher than 100 cm2/Vs, and a thermal conductivity above 10 W/mK. Different colors in the images represent oxides, sulfides, nitrides, carbides, selenides, tellurides, halides, and other compounds (such as silicides, borides, arsenides, and phosphides). Horizontal dashed lines indicate bandgap values of 2.8 eV in (a), while horizontal and vertical gray dashed lines mark an electron mobility of 100 cm2/Vs and a bandgap of 2.8 eV in (b). In (c), the horizontal and vertical gray dashed lines denote a thermal conductivity of 10 W/mK and an electron mobility of 100 cm2/Vs. In (d), the horizontal and vertical gray dashed lines correspond to a BFOM of 53,077 and a thermal conductivity of 10 W/mK, and cubic boron nitride (c-BN) shows the highest calculated BFOM value among the existing power semiconductor materials.

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