Electron paramagnetic resonance and theoretical study of gallium vacancy in β-Ga2O3

Unintentionally doped n-type beta -Ga2O3 becomes highly resistive after annealing at high temperatures in oxygen ambient. The annealing process also induces an electron paramagnetic resonance (EPR) center, labeled IR1, with an electron spin of S=1/2 and principal g-values of g(xx)=2.0160, g(yy)=2.0386, and g(zz)=2.0029 with the principal axis of g(zz) being 60 degrees from the [001](*) direction and g(yy) along the b-axis. A hyperfine (hf) structure due to the hf interaction between the electron spin and nuclear spins of two equivalent Ga atoms with a hf splitting of similar to 29G (for Ga-69) has been observed. The center can also be created by electron irradiation. Comparing the Ga hf constants determined by EPR with corresponding values calculated for different Ga vacancy-related defects, the IR1 defect is assigned to the double negative charge state of either the isolated Ga vacancy at the tetrahedral site (V-Ga(I)(2-)) or the V-Ga(I)-Ga-ib-V-Ga(I) complex. Funding Agencies|DFGGerman Research Foundation (DFG) [FR2833/63-1]; HLRN [hbc00027]; Institute of Global Innovation Research, Tokyo; University of Agriculture and Technology, Japan