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Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental evidence, we probe the origin of sub-band-gap optical absorption and metallicity in Se-hyperdoped Si. We show that sub-band-gap absorption arises from direct defect-to-conduction-band transitions rather than free carrier absorption. Density functional theory predicts the Se-induced insulator-to-metal transition arises from merging of defect and conduction bands, at a concentration in excellent agreement with experiment. Quantum Monte Carlo calculations confirm the critical concentration, demonstrate that correlation is important to describing the transition accurately, and suggest that it is a classic impurity-driven Mott transition.  相似文献   
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Kerfless high‐performance multicrystalline silicon is an emerging material for photovoltaic applications that is characterized by having a smaller grains, and general lower average dislocation density than conventional ribbon multicrystalline silicon. Although a significant improvement over state‐of‐the‐art, dislocation reduction at the crystal growth stage is not complete. Here we employ an annealing process previously tested in conventional ingot mc‐Si to reduce dislo‐ cation clusters that remain after crystal growth. A sample is subjected to a 1390 °C annealing process for 24 h and its dislocation density reduction is evaluated. We employ infrared birefringence imaging to observe that despite achieving significant average dislocation density reduction, if inclusions are present in the sample, these may serve to nucleate new dislocations due to thermal strain. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)  相似文献   
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