Open Access Database for Engineering Complex Interfaces
ORAL
Abstract
Recent developments in 2D incommensurate atomic heterostructures reveal a vast phase space of complex systems rich in exotic phenomena and opportunities for control. These developments include cutting-edge computational tools such as Mismatched Interface Theory (MINT)[1] and other continuum theories that enable accurate modeling of charge transfer, strain, spin-orbit interactions, and magnetism of incommensurate interfaces that were previously inaccessible to traditional ab initio techniques. We combine these advances with the open access materialsproject.org to develop a versatile interface database tool that predicts charge transfer, strain, and other crucial parameters of an interface between two arbitrary materials.
[1] Gerber, E., Yao, Y., Arias, T. A. & Kim, E.-A. Phys. Rev. Lett. 124, 106804 (2020)
[1] Gerber, E., Yao, Y., Arias, T. A. & Kim, E.-A. Phys. Rev. Lett. 124, 106804 (2020)
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Presenters
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Eli Gerber
Cornell University
Authors
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Eli Gerber
Cornell University
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Steven Torrisi
Department of Physics, Harvard University, Physics, Harvard University, John A. Paulson School of Engineering and Applied Sciences, Harvard University, Harvard University
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Kristin Persson
Materials Science & Engineering, University of California, Berkeley, Lawrence Berkeley National Laboratory
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Efthimios Kaxiras
Harvard University, Department of Physics, Harvard University, Physics, Harvard University
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Jenny E. Hoffman
Harvard University, Department of Physics, Harvard University
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Eun-Ah Kim
Cornell University, Department of Physics, Cornell University