@Article{JAMS-4-3,
author = {Tang, M., J. and Yang, S., Q. and T., Liang, H. and Yang, X., Q. and Liu, K.},
title = {First-Principles Study of Electronic Structure and Optical Properties of the $LaAlO_3/SrTiO_3$ Interfaces},
journal = {Journal of Atomic and Molecular Sciences},
year = {2013},
volume = {4},
number = {3},
pages = {280--286},
abstract = {<p style="text-align: justify;">The electronic structure and optical properties of the perovskite oxide $LaAlO_3,$ $SrTiO_3$ and $LaAlO_3 /SrTiO_3$ interfaces were studied by the density functional theory (DFT) based on First-principles plane wave pseudopotential method. The energy band structure analysis shows that the $(AlO_2)^-/(TiO_2)^0$ interface is insulating with the band gap being 1.888 eV, whereas the $(LaO)^+/(SrO)^0$ interface seems to be a semiconductor or semimetal with the band gap being 0.021 eV. Moreover, we have also investigated optical properties of the $LaAlO_3,$ $SrTiO_3$ and $LaAlO_3/SrTiO_3$ interfaces, the results indicate that the intensities of absorption, reflectivity, and energy loss spectra of $LaAlO_3$ and $SrTiO_3$ are higher than the corresponding intensities of the $LaAlO_3 /SrTiO_3$ interfaces.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.091012.100312a},
url = {https://global-sci.com/article/74347/first-principles-study-of-electronic-structure-and-optical-properties-of-the-laalo-3srtio-3-interfaces}
}