Duncan T. L. Alexander3,4,
Quentin M. Ramasse6,7,
Anna Fontcuberta i Morral1,10*
1 Laboratory of Semiconductor Materials, Institute of Materials, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
2 Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
3 Electron Spectrometry and Microscopy Laboratory, Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
4 Interdisciplinary Centre for Electron Microscopy (CIME), École Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
5 Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST, Campus UAB, Bellaterra, Barcelona, Catalonia 08193, Spain
6 School of Chemical and Process Engineering and School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT, UK
7 SuperSTEM Laboratory, SciTech Daresbury Campus, Keckwick Lane, Daresbury WA4 4AD, UK
8 Institute of Materials, Faculty of Engineering, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
9 ICREA, Pg. Lluís Companys 23, Barcelona, Catalonia 08010, Spain
10 Institute of Physics, Faculty of Basic Sciences, École Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland
* Corresponding authors emails:
How to cite this record
Duncan T. L. Alexander,
Quentin M. Ramasse,
Anna Fontcuberta i Morral,
3D ordering at the liquid–solid polar interface of nanowires
, Materials Cloud Archive
The nature of the liquid–solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic thermodynamics, neglecting the atomistic nature of the liquid–solid interface. Here, experimental observations and molecular dynamics simulations are employed to identify the 3D nature of an atomic‐scale ordering of liquid Ga in contact with solid GaAs in a nanowire growth configuration. An interplay between the liquid ordering and the formation of a new bilayer is revealed, which, contrary to the established theories, suggests that the preference for a certain polarity and polytypism is influenced by the atomic structure of the interface. The conclusions of this work open new avenues for the understanding of crystal growth, as well as other processes and systems involving a liquid–solid interface.
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M. Zamani, G. Imbalzano, N. Tappy, D. T. L. Alexander, S. Martí‐Sánchez, L. Ghisalberti, Q. M. Ramasse, M. Friedl, G. Tütüncüoglu, L. Francaviglia, S. Bienvenue, C. Hébert, J. Arbiol, M. Ceriotti, A. Fontcuberta i Morral, Advanced Materials 32, 2001030 (2020).
Molecular dynamics simulations
Neural network potential
Ordering at the interface
Machine learning potential