Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

Safdar Nazir; Bin Amin; Udo Schwingenschlögl

doi:10.1038/srep03409

Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

Safdar Nazir, Bin Amin, Udo Schwingenschlögl

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Abstract

Cation intermixing at the n-type polar LaGaO 3 /SrTiO 3 (001) interface is investigated by first principles calculations. Ti"Ga, Sr"La, and SrTi"LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d xy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.

Original language	English (US)
Journal	Scientific Reports
Volume	3
Issue number	1
DOIs	https://doi.org/10.1038/srep03409
State	Published - Dec 3 2013

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https://repository.kaust.edu.sa/bitstream/10754/325396/1/Article-Scientific-Suppressio-2013.pdf

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title = "Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing",

abstract = "Cation intermixing at the n-type polar LaGaO 3 /SrTiO 3 (001) interface is investigated by first principles calculations. Ti{"}Ga, Sr{"}La, and SrTi{"}LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d xy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.",

author = "Safdar Nazir and Bin Amin and Udo Schwingenschl{\"o}gl",

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year = "2013",

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doi = "10.1038/srep03409",

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T1 - Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

AU - Nazir, Safdar

AU - Amin, Bin

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2013/12/3

Y1 - 2013/12/3

N2 - Cation intermixing at the n-type polar LaGaO 3 /SrTiO 3 (001) interface is investigated by first principles calculations. Ti"Ga, Sr"La, and SrTi"LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d xy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.

AB - Cation intermixing at the n-type polar LaGaO 3 /SrTiO 3 (001) interface is investigated by first principles calculations. Ti"Ga, Sr"La, and SrTi"LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d xy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.

UR - http://hdl.handle.net/10754/325396

UR - http://www.nature.com/articles/srep03409

UR - http://www.scopus.com/inward/record.url?scp=84890243105&partnerID=8YFLogxK

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DO - 10.1038/srep03409

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SN - 2045-2322

VL - 3

JO - Scientific Reports

JF - Scientific Reports

IS - 1

ER -

Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

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