High Throughput X-Ray Characterization of Defects in Wide-Bandgap Semiconductors.

Abstract

Wide-bandgap materials are central to next-generation high-power, radio-frequency, and quantum technologies, yet their performance is often limited by crystalline defects such as dislocations. Single-crystal diamond in particular exhibits exceptional electronic and thermal properties, however, accurately and scalably quantifying defect density remains challenging. Here, we present an integrated methodology for characterizing dislocation densities in diamond using high-resolution X-ray diffraction and validate it using complementary Raman spectroscopy, hydrogen etch-pit analysis, and Hall effect measurements. Central to this approach is a custom Python-based tool that processes X-ray rocking curves and reciprocal space maps. The framework is applied to four commercially available grades of diamond substrates, spanning a wide defect density range (∼10⁵ to 10⁸ cm^-2). Consistent trends are observed across all characterization techniques, with electronic-grade diamond exhibiting the highest crystalline quality and lowest defect density. Application of the analysis tool to GaN samples further demonstrates its adaptability to other wide-bandgap material systems. Overall, this work establishes a robust, scalable, and versatile platform for high-throughput defect analysis in diamond and related wide-bandgap semiconductors.