2019/10/20 by Ting Zhang, Zhang, Ting, Yandong Ma +9 · 1 citation
Materials Science · #2D Materials and Applications #FOS: Physical sciences #Iron-based superconductors research #MXene and MAX Phase Materials #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.1910.08950
openalex publication_date 2019/10/20 · openalex created_date 2019/10/25 · openalex updated_date 2026/07/28
Two-dimensional crystals with coupling of ferroelasticity and attractive electronic properties offer unprecedent opportunities for achieving long-sought controllable devices. But so far, the reported proposals are mainly based on hypothetical structures. Here, using first-principles calculations, we identify single-layer Nb2ATe4 (A = Si, Ge), which could be exfoliated from their layered bulks, are promising candidates. Single-layer Nb2ATe4 are found to be dynamically, thermally and chemically stable. They possess excellent ferroelasticity with high reversible ferroelastic strain and moderate ferroelastic transition energy barrier, beneficial for practical applications. Meanwhile, they harbor outstanding anisotropic electronic properties, including anisotropic carrier mobility and optical properties. More importantly, the anisotropic properties of single-layer Nb2ATe4 can be efficiently controlled through ferroelastic switching. These appealing properties combined with the experimental feasibility render single-layer Nb2ATe4 extraordinary platforms for realizing controllable devices.