Systematic characterization and defect analysis of β-Ga2O3 single crystals co-designed by the edge-defined film-fed growth method and numerical analysis

Co-designed optimization and analysis of thermal field structure and defect formation for high quality β -Ga 2 O 3 single crystal with ultra-wide bandgap has been systematically investigated via edge-defined film-fed growth technique and numerical simulation. To confirm the wafer-scale quality, a collaborative verification scheme is developed at both microscopic and macroscopic scales. The narrow full width at half-maximum (139.82 arcsec) and low average defect density (5.5 × 10 4 cm −2 ) highlight the high quality of the bulk crystal. The overall low defect density in the crystal is confirmed through rotated electron spin resonance owing to the appearance of angle-independent single peak. The dopant of Zr is verified as the main impurity and the role of Zr, an effective n-type dopant, is investigated by first principles calculation. Moreover, the microscopic mechanism of defect formation is interpreted as atomic arrangement disorder and lattice distortion. This study presents novel proposals and strategies for the advanced improvement and optimization of β -Ga 2 O 3 single crystal growth and defect characterization.