Auxetic two-dimensional transition metal selenides and halides
ORAL
Abstract
Auxetic two-dimensional materials provide a promising platform for multiple applications at the nanoscale. Utilizing a hypothesis-based data-driven approach we identify multiple materials with remarkable in-plane auxetic behavior in a family of buckled 2D materials with the stoichiometry MX (M = V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ag, and X= Se, Cl, Br, I). The desirable auxetic behavior originates from the interplay between the buckled structure and the weak metal-metal interaction determined by their electronic structures. The Poisson's ratio is sensitive to magnetic order and the amount of uniaxial stress applied. A transition from positive Poisson's ratio to negative Poisson's ratio for a subgroup of MX compounds under large uniaxial stress is predicted.
*This work was supported as part of the Center for Complex Materials from First Principles (CCM), an Energy Frontier Research Center funded by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES). It benefitted from the supercomputing resources of the National Energy Research Scientific Computing Center (NERSC), a US Department of Energy Office of Science User Facility operated.
–
Presenters
-
Jinbo Pan
- Temple University
- Chinese Academy of Sciences,Institute of Physics