Lattice-polarization effects on electron-gas charge densities in ionic superlattices
Lattice-polarization effects on electron-gas charge densities in ionic superlattices
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DOI：
10.1103/physrevb.73.195403
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发表时间：
2006-05-01
影响因子：
3.7
通讯作者：
Hwang, H. Y.
中科院分区：
文献类型：
--
作者：
Hamann, D. R.;Muller, D. A.;Hwang, H. Y.
在人工结构的氧化物超晶格中实现的原子级控制提供了一个独特的机会来探索包括高密度二维（2D）电子气在内的物质的界面相。电子结构的计算表明，在SrTiO 3的LaTiO 3单层引入的电荷分布强烈调制的电子-声子相互作用与显着的离子极化。非谐有限温度效应必须包括重现实验。密度泛函微扰理论被用来参数化一个简单的模型介绍代表这些影响和预测温度依赖性。
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.