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Positrons as interface-sensitive probes of polar semiconductor heterostructures

机译:正电子作为极性半导体异质结构的界面敏感探针

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摘要

Group-III nitrides in their wurtzite crystal structure are characterized by large spontaneous polarization and significant piezoelectric contributions in heterostructures formed of these materials. Polarization discontinuities in polar heterostructures grown along the (0001) direction result in huge built-in electric fields on the order of megavolt per centimeter. We choose the III-nitride heterostructures as archetypal representatives of polar heterostructures formed of semiconducting or insulating materials and study the behavior of positrons in these structures using first-principles electronic-structure theory supported by positron annihilation experiments for bulk systems. The strong electric fields drive positrons close to interfaces, which is clearly seen in the predicted momentum distributions of annihilating electron-positron pairs as changes relative to the constituent bulk materials. Implications of the effect to positron defect studies of polar heterostructures are addressed.
机译:纤锌矿型晶体结构中的III族氮化物的特征在于大的自发极化和由这些材料形成的异质结构中的显着压电贡献。沿(0001)方向生长的极性异质结构中的极化不连续性会导致巨大的内置电场(兆伏/厘米)。我们选择III族氮化物异质结构作为由半导体或绝缘材料形成的极性异质结构的原型代表,并使用正电子an没实验支持的大体积系统的第一性原理电子结构理论研究这些结构中正电子的行为。强电场驱使正电子靠近界面,这在in灭的电子-正电子对的预测动量分布中相对于组成的块状材料的变化中可以清楚地看出。解决了对极性异质结构对正电子缺陷研究的影响。

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