主催: The organizing committee of JWPS2019
会議名: 4th Japan-China Joint Workshop on Positron Science (JWPS2019)
開催地: Nara, Japan
開催日: 2019/10/28 - 2019/11/02
Point vacancy defects in hexagonal boron nitride (h-BN) were investigated by first-principles calculations based on the generalized gradient approximation method in the density-functional theory. The obtained formation energies of B vacancy (VB) and N vacancy (VN) with different charge states suggest that is stable for p-type h-BN in both N-rich and N-poor growth conditions, while is stable for n-type h-BN in both N-rich and N-poor growth conditions. Positron lifetime calculations were also carried out on h-BN using the atomic superposition method. The calculated positron bulk lifetime of h-BN was 180.6 ps, positron lifetime of VB was 183.6 ps, and positron lifetime of VN was 181.5 ps. The positron lifetime difference is small, but the tendency is clear, showing that .