GaN层中的拉伸应变对AlGaN/GaN异质结构能带偏移和2DEG密度的影响
Effect of Tensile Strain in GaN Layer on the Band Offsets and 2DEG Density in AlGaN/GaN Heterostructures
AI总结：
本文采用经验紧束缚三次插值与电荷密度计算，揭示GaN层工艺应变虽不显著改变AlGaN/GaN能带偏移，却可通过调制极化电荷使低Al摩尔分数下的2DEG密度提高达25%。
摘要：
我们解决了关于底层GaN层中由工艺引起的应变对AlGaN/GaN异质结构性质影响的现有歧义。首先在经验紧束缚框架内采用三次插值方案计算应变GaN上AlGaN的带隙和偏移。随后将这些结果用于计算极化电荷和二维电子气密度。我们的能带结构计算表明，不可能通过GaN层中的应变引起能带偏移的任何显著变化。然而，电荷密度计算表明，此类应变可以调制极化电荷，从而大幅提高AlGaN/GaN异质界面处的2DEG密度，在低Al摩尔分数情况下增幅高达25%。
英文摘要：
We have addressed the existing ambiguity regarding the effect of process-induced strain in the underlying GaN layer on AlGaN/GaN heterostructure properties. The bandgaps and offsets for AlGaN on strained GaN are first computed using a cubic interpolation scheme within an empirical tight-binding framework. These are then used to calculate the polarization charge and two-dimensional electron gas density. Our bandstructure calculations show that it is not possible to induce any significant change in band offsets through strain in the GaN layer. The charge-density calculations indicate that such strain can, however, modulate the polarization charge and thereby enhance the 2DEG density at the AlGaN/GaN hetero-interface substantially, by as much as 25% for low Al mole fraction.
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