Lattice-polarization effects on electron-gas charge densities in ionic superlattices

被引：70

作者：

Hamann, D. R. ^{[1
]}

Muller, D. A.

Hwang, H. Y.

机构：

[1] Bell Labs, Lucent Technol, Murray Hill, NJ 07904 USA

[2] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

[3] Mat Sim Res LLC, Murray Hill, NJ 07904 USA

[4] Cornell Univ, Mat Res Ctr, Ithaca, NY 14853 USA

[5] Univ Tokyo, Dept Adv Mat Sci, Kashiwa, Chiba 2778561, Japan

[6] Japan Sci & Technol Agcy, Kawaguchi 3320012, Japan

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.73.195403

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The atomic-level control achievable in artificially structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density two-dimensional (2D) electron gases. Electronic-structure calculations show that the charge distribution introduced by LaTiO3 monolayers in SrTiO3 is strongly modulated by electron-phonon interactions with significant ionic polarization. Anharmonic finite-temperature effects must be included to reproduce experiment. Density functional perturbation theory is used to parametrize a simple model introduced to represent these effects and predict temperature dependencies.

引用

页数：5

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