射频磁控溅射法制备N掺杂β-Ga2O3薄膜的光学特性

在不同氨分压比(0～30％)下,用射频磁控溅射法在玻璃和硅衬底上制备了N掺杂β-Ga2O3薄膜.研究了氨分压比和退火对薄膜光学和结构特性的影响.N掺杂β-Ga2O3薄膜的微结构、光学透过率、光学吸收和光学带隙随着氨分压比的增加发生了显著变化.观察到了绿光、蓝光和紫外发光带,并对每个发光带进行了讨论.     

Effects of N-doping concentration on the electronic structure and optical properties of N-doped β-Ga₂O₃

The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O(1) atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.     

Si掺杂β-Ga2O3的第一性原理计算与实验研究

采用基于密度泛函理论(DFT)的第一性原理平面波超软赝势(USPP)法, 在广义梯度近似(GGA)下计算了本征β-Ga₂O₃和Si掺杂β-Ga₂O₃的能带结构、电子态密度、差分电荷密度和光学特性. 在蓝宝石衬底(0001)晶面上用脉冲激光沉积(PLD)法制备了本征β-Ga₂O₃和Si掺杂β-Ga₂O₃薄膜, 测量了其吸收光谱和反射光 关键词： 第一性原理 超软赝势 密度泛函理论 2O₃')" href="#">Si掺杂β-Ga₂O₃     

Effects of N-doping concentration on the electronic structure and optical properties of N-doped β-Ga2O3

The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.