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

Author:

Brivio Federico12ORCID,Rappe Andrew M.3ORCID,Kronik Leeor1ORCID,Ritter Dan2ORCID

Affiliation:

1. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science 1 , Rehovoth 76100, Israel

2. Department of Electrical and Computer Engineering 2 , Technion, Haifa, Israel

3. Department of Chemistry, University of Pennsylvania 3 , Philadelphia, Pennsylvania 19104, USA

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.

Funder

DEVCOM Army Research Laboratory

Publisher

AIP Publishing

Subject

Physics and Astronomy (miscellaneous)

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