Electron paramagnetic resonance and theoretical study of gallium vacancy in β-Ga2O3
Electron paramagnetic resonance and theoretical study of gallium vacancy in β-Ga2O3
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β-Ga2O3中镓空位的电子顺磁共振及理论研究
DOI：
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发表时间：
2020
期刊：
影响因子：
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通讯作者：
P. Deák
中科院分区：
文献类型：
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作者：
N. T. Son;Quoc Duy Ho;K. Goto;H. Abe;T. Ohshima;B. Monemar;Y. Kumagai;T. Frauenheim;P. Deák
非故意掺杂的n型β-Ga 2 O3在高温下在氧气环境中退火后变得高电阻。退火过程还诱导了电子顺磁共振（EPR）中心，标记为IR 1，其电子自旋为S = 1/2，主g值为gxx = 2.0160、gyy = 2.0386和gzz = 2.0029，其中gzz的主轴与[001]* 方向成60°，gyy沿着b轴。观察到了由两个等价Ga原子的电子自旋与核自旋之间的hf相互作用引起的超精细结构，其hf分裂为1.29G（69 Ga）.该中心也可以通过电子辐照产生。将EPR测定的Ga hf常数与不同Ga空位相关缺陷的相应计算值进行比较，IR 1缺陷被指定为四面体位置（V2−Ga（I））或VGa（I）-Gaib-VGa（I）复合物的孤立Ga空位的双负电荷状态。
Unintentionally doped n-type β-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 gxx = 2.0160, gyy = 2.0386, and gzz = 2.0029 with the principal axis of gzz being 60° from the [001]* direction and gyy 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 ∼29 G (for 69Ga) 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 (V2−Ga(I)) or the VGa(I)–Gaib–VGa(I) complex.