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End date: 2022 × Subject: calculation ×

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    A neutral low-coordinate heterocyclic bismuth-tin species
    (Cambridge : Soc., 2015) Hering-Junghans, C.; Schulz, A.; Villinger, A.
    The reaction of distannadiazane bearing bulky RAr*-groups (RAr* = C6H2{C(H)Ph2}2R-2,6,4; R = iPr, tBu) with ECl3 (E = Sb, Bi) was studied resulting in the isolation of previously unknown N,N-bis(dichloropnictino)amines (3) and a novel heterocyclic carbenoid bismuth species (4) bearing a Bi(III) and a Sn(IV) center. The structure and bonding was investigated by means of X-ray structure elucidations and DFT calculations.
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    An efficient supervised training algorithm for multilayer spiking neural networks
    (San Francisco, CA : Public Library of Science (PLoS), 2016) Xie, X.; Qu, H.; Liu, G.; Zhang, M.; Kurths, J.
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    Correlation networks from flows. The case of forced and time-dependent advection-diffusion dynamics
    (San Francisco, CA : Public Library of Science (PLoS), 2016) Tupikina, L.; Molkenthin, N.; López, C.; Hernández-García, E.; Marwan, N.; Kurths, J.
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    A new color image encryption scheme using CML and a fractional-order chaotic system
    (San Francisco, CA : Public Library of Science (PLoS), 2015) Wu, X.; Li, Y.; Kurths, J.
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    Interface polarization model for a 2-dimensional electron gas at the BaSnO3/LaInO3 interface
    ([London] : Macmillan Publishers Limited, part of Springer Nature, 2019) Kim, Young Mo; Markurt, T.; Kim, Youjung; Zupancic, M.; Shin, Juyeon; Albrecht, M.; Char, Kookrin
    In order to explain the experimental sheet carrier density n2D at the interface of BaSnO3/LaInO3, we consider a model that is based on the presence of interface polarization in LaInO3 which extends over 2 pseudocubic unit cells from the interface and eventually disappears in the next 2 unit cells. Considering such interface polarization in calculations based on 1D Poisson-Schrödinger equations, we consistently explain the dependence of the sheet carrier density of BaSnO3/LaInO3 heterinterfaces on the thickness of the LaInO3 layer and the La doping of the BaSnO3 layer. Our model is supported by a quantitative analysis of atomic position obtained from high resolution transmission electron microscopy which evidences suppression of the octahedral tilt and a vertical lattice expansion in LaInO3 over 2–3 pseudocubic unit cells at the coherently strained interface.