.. _funct_perovskites: Functional Perovskites ====================== We investigate the band gaps and optical spectra of functional perovskites composed of layers of the two cubic perovskite semiconductors BaSnO3-BaTaO2N and LaAlO3-LaTiO2N. .. container:: article Ivano E. Castelli, Mohnish Pandey, Kristian S. Thygesen, and Karsten W. Jacobsen `Bandgap Engineering of Functional Perovskites Through Quantum Confinement and Tunneling`__ Phys. Rev. B 91, 165309. __ http://dx.doi.org/10.1103/PhysRevB.91.165309 * :download:`Download raw data ` * `Browse data `_ Key-value pairs --------------- .. csv-table:: :file: keytable.csv :header-rows: 1 :widths: 3 10 1 Band gaps --------- Here, we plot the band gaps at `\Gamma` when n A-layers is stuck with n B-layers (with n between 1 and 6). The changes in the gaps can be understood in terms of quantum confinement and tunneling. The cubic perovskites selected as building blocks are BaSnO3 (A) with BaTaO2N (B) or LaAlO3 (A) with LaTiO2N (B). .. literalinclude:: figure.py .. image:: gaps.svg