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

Federico Brivio; Andrew M. Rappe; Leeor Kronik; Dan Ritter

doi:https://doi.org/10.1063/5.0149212

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

Federico Brivio, Andrew M. Rappe, Leeor Kronik, Dan Ritter

Weizmann Institute of Science, Technion - Israel Institute of Technology

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Article number	022104
Number of pages	5
Journal	Applied Physics Letters
Volume	123
Issue number	2
DOIs	https://doi.org/10.1063/5.0149212
State	Published - 10 Jul 2023

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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https://doi.org/10.1063/5.0149212License: CC BY

Cite this

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

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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AU - Ritter, Dan

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Y1 - 2023/7/10

N2 - 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.

AB - 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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JO - Applied Physics Letters

JF - Applied Physics Letters

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

Abstract

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