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n-type doping via avoiding the stabilization of DX centers in InP quantum dots

机译:通过避免InP量子点中DX中心的稳定来进行n型掺杂

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摘要

We demonstrate that it is preferable to dope III-V semiconductor nanocrystals by n-type anion substitution as opposed to cation substitution. Specifically, we show the dopability of zinc-blende nanocrystals is more efficient when the dopants are placed at the anion site as quantified by formation energies and the stabilization of DX-like defect centers. Our results are based on first-principles calculations of InP quantum dots by using a real-space implementation of density-functional theory and pseudopotentials.
机译:我们证明,与阳离子取代相反,优选通过n型阴离子取代来掺杂III-V半导体纳米晶体。具体来说,我们显示出当掺杂剂置于阴离子位点时,掺锌锌纳米晶体的掺杂性更有效,这可以通过形成能和DX类缺陷中心的稳定性来量化。我们的结果基于InP量子点的第一性原理计算,方法是使用密度函数理论和伪势的实空间实现。

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