Exponential decay of relaxation effects at LaAlO3/SrTiO3 heterointerfaces

U. Schwingenschlögl; C. Schuster

doi:10.1016/j.cplett.2008.11.054

Exponential decay of relaxation effects at LaAlO₃/SrTiO₃ heterointerfaces

U. Schwingenschlögl^*, C. Schuster

^*Corresponding author for this work

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Abstract

We study the decay of interface induced structural and electronic relaxation effects in epitaxial LaAlO₃/SrTiO₃ heterostructures. The results are based on first-principles band structure calculations for a multilayer configuration with an ultrathin LaAlO₃ layer sandwiched between bulk-like SrTiO₃ layers. We carry out the structure optimization for the heterointerface and investigate the electronic states of the conducting interface layer, which is found to extend over two SrTiO₃ unit cells. The decay of atomic displacements is analyzed as a function of the distance to the interface, and the resulting exponential law is evaluated quantitatively.

Original language	English (US)
Pages (from-to)	354-357
Number of pages	4
Journal	Chemical Physics Letters
Volume	467
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2008.11.054
State	Published - Jan 5 2009

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2008.11.054

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abstract = "We study the decay of interface induced structural and electronic relaxation effects in epitaxial LaAlO3/SrTiO3 heterostructures. The results are based on first-principles band structure calculations for a multilayer configuration with an ultrathin LaAlO3 layer sandwiched between bulk-like SrTiO3 layers. We carry out the structure optimization for the heterointerface and investigate the electronic states of the conducting interface layer, which is found to extend over two SrTiO3 unit cells. The decay of atomic displacements is analyzed as a function of the distance to the interface, and the resulting exponential law is evaluated quantitatively.",

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N2 - We study the decay of interface induced structural and electronic relaxation effects in epitaxial LaAlO3/SrTiO3 heterostructures. The results are based on first-principles band structure calculations for a multilayer configuration with an ultrathin LaAlO3 layer sandwiched between bulk-like SrTiO3 layers. We carry out the structure optimization for the heterointerface and investigate the electronic states of the conducting interface layer, which is found to extend over two SrTiO3 unit cells. The decay of atomic displacements is analyzed as a function of the distance to the interface, and the resulting exponential law is evaluated quantitatively.

AB - We study the decay of interface induced structural and electronic relaxation effects in epitaxial LaAlO3/SrTiO3 heterostructures. The results are based on first-principles band structure calculations for a multilayer configuration with an ultrathin LaAlO3 layer sandwiched between bulk-like SrTiO3 layers. We carry out the structure optimization for the heterointerface and investigate the electronic states of the conducting interface layer, which is found to extend over two SrTiO3 unit cells. The decay of atomic displacements is analyzed as a function of the distance to the interface, and the resulting exponential law is evaluated quantitatively.

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Exponential decay of relaxation effects at LaAlO₃/SrTiO₃ heterointerfaces

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