First-Principles Study of Polarizability Distributions for LaAlO3/SrTiO3 Superlattices

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概要

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• We have investigated polarizability (up to the third order) distributions for LaAlO3 (LAO)/SrTiO3 (STO) superlattices by first-principles calculations for two different stackings, i.e., [011] and [001], in order to study the basic difference in the electronic structure between the cases with polar discontinuity ([001]) and without it ([011]). In contrast to the [011] stacking, there is strong asymmetry between the n-type interface and p-type one in the [001] stacking. The dependence of the calculated second order polarizability on the thickness of the supercell unit cell gives useful insight into the recent experimental data on the second harmonic generation. A unified explanation is also given to the striking difference in the electronic structure between isolated thin film and superlattice configurations.

• 2010-09-15

著者

• Ishibashi Shoji

  Nanosystem Research Institute (NRI) "RICS", AIST, Tsukuba, Ibaraki 305-8568, Japan

• Terakura Kiyoyuki

  Nanosystem Research Institute (NRI) "RICS", National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan

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