Department of Physics Technical University of Denmark. We identify potential 1D materials through a screening procedure applied to the ICSD and the COD. We employ the dimensionality scoring parameter defined in ref [3], which is based exclusively on the atomic geometry. The algorithm extract one-dimensional components from periodic three-dimensional crystals. So far 201 compounds have been studied. Their basic properties like atomic structure, stability (heat of formation and convex hull), band structure, density of state and work function have been calculated. They are furthermore characterized using symmetry and grouped together using a clustering algorithm based on the root-mean-square-distance. In the future we expect to construct new potential 1D materials by element substitution in the constructed database. [1] G. Cheon, K. N. Duerloo, et al. Data Mining for New 2- and 1-D Weakly Bonded Solids and Lattice-Commensurate Heterostructures. Nano Letters, 17(3):1915–1923, 2017. [2] D. Jariwala, T. J. Marks, and M. C. Hersam. Mixed-dimensional van der waals heterostructures. Nature materials, 16(2):170, 2017. [3] P. M. Larsen, M. Pandey, et al. Definition of a scoring parameter to identify low-dimensional materials components. Phys. Rev. materials 3(3):034003, 2019. |

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