Two-Dimensional Carrier Gas at a Polar Interface without Surface Band Gap States: A First-Principles Perspective

ORAL

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[1]. This slab approach produces results that are in agreement with the prediction of the modern theory of polarization. Upon natural extension to an interface, it shows that an interfacial 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.



[1] Brivio et al., Appl. Phys. Lett. 123, 022104 (2023).

* Leeor Kronik acknowledges support by the Aryeh and Mintzi Katzman Professorial chair and the Helen and Martin Kimmel Award for Innovative Investigation. Andrew M. Rappe acknowledges the support of the Army Research Laboratory via the Collaborative for Hierarchical Agile and Responsive Materials (CHARM) under Cooperative Agreement No. W911NF-19-2-0119.

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Publication: Paper: Federico Brivio, Andrew M. Rappe, Leeor Kronik, Dan Ritter; Two-dimensional carrier gas at a polar interface without surface band gap states: A first principles perspective. Appl. Phys. Lett. 10 July 2023; 123 (2): 022104. https://doi.org/10.1063/5.0149212
Preprint available: arXiv preprint arXiv:2303.03842 (2023).

Presenters

  • federico brivio

    Univ of Perugia

Authors

  • federico brivio

    Univ of Perugia

  • Andrew M Rappe

    University of Pennsylvania

  • Leeor Kronik

    Weizmann Institute of Science

  • Dan Ritter

    Technion