Hexagonal boron-carbon fullerene heterostructures; Stable two-dimensional semiconductors with remarkable stiffness, low thermal conductivity and flat bands
Published: 13 July 2023| Version 1 | DOI: 10.17632/tgszs66spj.1
Contributor:
Bohayra MortazaviDescription
Data for the manuscript "Atomic-Structures.zip" folder includes the Lattices, find "Lattices.jpg" for the illustration of atomic structures. "Electronic-properties.zip" folder includes the electronic properties of every structure. Note that HIGH_SYMMETRY_POINTS for every structure are obtained using the VASPKIT package. "Train-Data.cfg" includes the complete AIMD training datasets for the training of MTP. "p.mtp" is the fitted MTP for the evaluation of mechanical and thermal properties
Files
Institutions
Leibniz Universitat Hannover
Categories
Two-Dimensional Material
Funding
Deutsche Forschungsgemeinschaft
EXC 2122