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arXiv · 2303.03842

Two-dimensional carrier gas at a polar interface without surface band gap states: A first-principles perspective

Federico Brivio·Andrew Rappe·Leeor Kronik·Dan Ritter
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Abstract

We present first-principles calculations of the interface between GaN and strained AlN, using a slab model in which polarization is compensated via surface fractional-charge pseudo-hydrogen atoms. We show that an interface two-dimensional carrier electron or hole gas emerges naturally in response to different compensating surface charges, but that this need not involve in-gap surface states.

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Federico Brivio, Andrew Rappe, Leeor Kronik, Dan Ritter. 2023-03-07. Two-dimensional carrier gas at a polar interface without surface band gap states: A first-principles perspective. https://doi.org/10.1063/5.0149212

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