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arXiv 1302.7290cond-mat.str-el
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LaAlO3/SrTiO3界面的电荷密度分布和光学响应

Charge density distribution and optical response of the LaAlO3/SrTiO3 interface

Se Young Park, Andrew J. Millis

摘要:

计算了LaAlO 3/SrTiO 3界面电子气的电荷密度分布、子带占有率和椭圆偏振光谱。计算采用自洽Hartree和随机相位近似,紧束缚参数化的能带结构和模型的光学声子的SrTiO 3。的空间结构和占用的子带上的极化电荷在界面和介电函数的大小的依赖性被确定。界面限制的子带可以标记的对称性(xy,xz,或yz)的Ti d-轨道,它们主要来自。最靠近界面的xy-导出带包含了大部分的电子电荷,但是也发现了大量的更远的、稍微被占据的xy-导出带。根据极化电荷的大小,发现了零个、一个或两个xz/yz导出子带。当存在时,这些xz/yz带对界面电荷的长距离尾部起主导作用。计算了平行和垂直于界面极化的外加交流电场的响应,并给出了椭圆偏振角的结果。发现了两个特征:在STO声子的LO特征附近的光谱中的一个凹陷和在较高能量处的一个峰。我们表明,倾角的形式和幅度有关的Drude响应的载流子在界面的平面中移动,而峰产生的xz和yz电子的等离子体激元激发。给出了子带占据特性与面内电导率的关系。

英文摘要:

We present calculations of the charge density profile, subband occupancy and ellipsometry spectra of the electron gas at the LaAlO3/SrTiO3 interface. The calculations employ self-consistent Hartree and random phase approximations, a tight binding parametrization of the band structure and a model for the optical phonon of SrTiO3. The dependence of the spatial structure and occupancy of subbands on the magnitude of the polarization charge at the interface and the dielectric function is determined. The interface-confined subbands may be labelled by the symmetry (xy, xz, or yz) of the Ti d-orbitals from which they mainly derive. The xy-derived band nearest the interface contains the major proportion of the electronic charge, but a large number of more distant, slightly occupied xy-derived bands are also found. Depending on the magnitude of the polarization charge, zero, one, or two xz/yz derived subbands are found. When present, these xz/yz bands give the dominant contribution to the long-distance tail of the interface charge. The response to applied ac electric fields polarized parallel and perpendicular to the interface is calculated and the results are presented in terms of ellipsometry angles. Two features are found: a dip in the spectrum near the LO feature of the STO phonon and a peak at the higher energy. We show that the form and magnitude of the dip is related to the Drude response of carriers moving in the plane of the interface while the peak arises from the plasmon excitation of the xz and yz electrons. The relation of the features of the subband occupancies and the in-plane conductivities is given.

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