Effects of Sulfur Doping on Generalized Stacking Fault Energy of Indium Phosphide
Source abstract
Abstract
Indium phosphide (InP) is one of the most important optoelectronic materials, while stacking faults (SFs), as planar defects, are usually inevitable during the growth of InP possibly due to the low SF energy. As n-type dopants, sulfur atoms are generally used to change the electron concentration of InP-based devices, whereas the effects of sulfur doping on SFs of InP have not been studied in detail. In this work, the generalized stacking fault (GSF) energies of pure and sulfur-doped InP have been investigated by gliding the layers successively in the framework of first principle calculations. The results reveal the stable SF energies of InP are low and extrinsic stacking fault could be seen as the twin embryos in pure InP. Sulfur doping could decrease the GSF energies dramatically due to the lower charge density along In-S bonds than along In-P bonds, which consequently enhances the ability of twinning locally. The preferential segregation of sulfur atoms on SFs or twin boundaries could further promote the thickening of microtwin in InP. These results are of great significance to the understanding of the formation of planar defects in n-type doped III–V compounds.
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Research context
OpenAlex topics: Semiconductor materials and interfaces · Semiconductor materials and devices · Advancements in Semiconductor Devices and Circuit Design
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References (35)
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