Identify the point-defect species in B-rich ScB2 crystals

Identify the specific point-defect species responsible for the asymmetric high-angle tails in the X-ray rocking curves of ScB2 crystals grown under B-rich flux conditions, using complementary microscopic characterization.

Background

ScB2 crystals grown from B-rich flux exhibit asymmetric intensity tails in their X-ray rocking curves, which the authors associate with local microstrain or point-defect-induced compressive lattice distortion. The authors propose Sc vacancies as the most plausible defect and B interstitials as an alternative explanation.

Because high-resolution X-ray diffraction cannot distinguish these defect species uniquely, the microscopic identity of the defects remains unresolved and requires complementary characterization methods.

References

Regardless, HRXRD, however, cannot uniquely identify defect species in this case, and warrants future follow-up work through complementary microscopic characterization.

— Enabling the Ambient Pressure Growth of ScB2 Crystals for AlGaN Power Electronics  (2609.36493 - Kushwaha et al., 29 Sep 2026) in Results and Discussion, subsection “High-resolution X-ray diffraction”