O deficient LaAlO3/SrTiO3(110) and (001) superlattices under hydrostatic pressure: a comparative first principles study

Arwa Albar; Udo Schwingenschlögl

doi:10.1039/c6tc05627j

O deficient LaAlO3/SrTiO3(110) and (001) superlattices under hydrostatic pressure: a comparative first principles study

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Abstract

We compare the electronic properties of O deficient LaAlO3/SrTiO3 superlattices oriented along the (001) and (110) directions, taking into account the effect of hydrostatic compression and tension. Interfacial O vacancies turn out to be less likely in the case of the (110) orientation, with compression (tension) reducing (enhancing) the energy cost for both orientations. The presence of O vacancies results in the formation of a two-dimensional electron gas, for which we observe a distinct spatial pattern of carrier density that depends strongly on the amount of applied pressure. We clarify the interrelation between structural features and the properties of this electron gas (confinement, carrier density, and mobility).

Original language	English (US)
Pages (from-to)	3336-3342
Number of pages	7
Journal	J. Mater. Chem. C
Volume	5
Issue number	13
DOIs	https://doi.org/10.1039/c6tc05627j
State	Published - 2017

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.

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title = "O deficient LaAlO3/SrTiO3(110) and (001) superlattices under hydrostatic pressure: a comparative first principles study",

abstract = "We compare the electronic properties of O deficient LaAlO3/SrTiO3 superlattices oriented along the (001) and (110) directions, taking into account the effect of hydrostatic compression and tension. Interfacial O vacancies turn out to be less likely in the case of the (110) orientation, with compression (tension) reducing (enhancing) the energy cost for both orientations. The presence of O vacancies results in the formation of a two-dimensional electron gas, for which we observe a distinct spatial pattern of carrier density that depends strongly on the amount of applied pressure. We clarify the interrelation between structural features and the properties of this electron gas (confinement, carrier density, and mobility).",

author = "Arwa Albar and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.",

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doi = "10.1039/c6tc05627j",

language = "English (US)",

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T1 - O deficient LaAlO3/SrTiO3(110) and (001) superlattices under hydrostatic pressure: a comparative first principles study

AU - Albar, Arwa

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at KAUST.

PY - 2017

Y1 - 2017

N2 - We compare the electronic properties of O deficient LaAlO3/SrTiO3 superlattices oriented along the (001) and (110) directions, taking into account the effect of hydrostatic compression and tension. Interfacial O vacancies turn out to be less likely in the case of the (110) orientation, with compression (tension) reducing (enhancing) the energy cost for both orientations. The presence of O vacancies results in the formation of a two-dimensional electron gas, for which we observe a distinct spatial pattern of carrier density that depends strongly on the amount of applied pressure. We clarify the interrelation between structural features and the properties of this electron gas (confinement, carrier density, and mobility).

AB - We compare the electronic properties of O deficient LaAlO3/SrTiO3 superlattices oriented along the (001) and (110) directions, taking into account the effect of hydrostatic compression and tension. Interfacial O vacancies turn out to be less likely in the case of the (110) orientation, with compression (tension) reducing (enhancing) the energy cost for both orientations. The presence of O vacancies results in the formation of a two-dimensional electron gas, for which we observe a distinct spatial pattern of carrier density that depends strongly on the amount of applied pressure. We clarify the interrelation between structural features and the properties of this electron gas (confinement, carrier density, and mobility).

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SN - 2050-7526

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EP - 3342

JO - J. Mater. Chem. C

JF - J. Mater. Chem. C

IS - 13

ER -

O deficient LaAlO3/SrTiO3(110) and (001) superlattices under hydrostatic pressure: a comparative first principles study

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