Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures

Safdar Nazir; Udo Schwingenschlögl

doi:10.1063/1.4801514

Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures

Safdar Nazir, Udo Schwingenschlögl

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Abstract

The spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.

Original language	English (US)
Pages (from-to)	141604
Journal	Applied Physics Letters
Volume	102
Issue number	14
DOIs	https://doi.org/10.1063/1.4801514
State	Published - Apr 11 2013

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KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.4801514

https://repository.kaust.edu.sa/bitstream/10754/315754/1/Strain%20effects%20on%20the%20spin%20polarized%20electron%20gas%20in%20ABO3%20SrTiO3%20%28A%e2%80%89%3d%e2%80%89Pr%2c%20Nd%20and%20B%e2%80%89%3d%e2%80%89Al%2c%20Ga%29%20heterostructures.pdf

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title = "Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures",

abstract = "The spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.",

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AU - Nazir, Safdar

AU - Schwingenschlögl, Udo

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

PY - 2013/4/11

Y1 - 2013/4/11

N2 - The spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.

AB - The spin polarized two dimensional electron gas in the correlated ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures is investigated by ab-initio calculations using density functional theory. Structural relaxation shows a strong buckling at and near the TiO2 terminated n-type interface (IFs) due to significant TiO6 octahedral distortions. We find in all cases, metallic states in a very narrow region of the SrTiO3, in agreement with experimental results. We demonstrate that the interface magnetism strongly reacts to the magnitude of the lattice strain. The orbital occupations and, hence, the charge carrier density change systematically as a function of the lattice mismatch between the component materials.

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Strain effects on the spin polarized electron gas in ABO3/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures

Abstract

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