Lattice relaxation in oxide heterostructures:: LaTiO3/SrTiO3 superlattices

被引：246

作者：

Okamoto, Satoshi

Millis, Andrew J.

Spaldin, Nicola A.

机构：

[1] Columbia Univ, Dept Phys, New York, NY 10027 USA

[2] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA

[3] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 97卷 / 05期

关键词：

INSULATOR;

D O I：

10.1103/PhysRevLett.97.056802

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Local density approximation + Hubbard U and many-body effective Hamiltonian calculations are used to determine the effects of lattice relaxation in LaTiO3/SrTiO3 superlattices. Large ferroelectric-like distortions of the TiO6 octahedra are found, which substantially affect the Ti d-electron density, bringing the calculated results into good agreement with experimental data. The relaxations also change the many-body physics, leading to a novel symmetry-breaking-induced ordering of the xy orbitals, which does not occur in bulk LaTiO3, or in the hypothetical unrelaxed structure.

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页数：4

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