2026-10-14T14:42:01Z https://www.scidb.cn/oai

10.57760/sciencedb.jim.00065 2026-06-01T16:17:58Z

2026-06-01 The data of the article“Regulating Electronic Properties of Novel Two-dimensional SixCy under External Strain” doi:10.57760/sciencedb.jim.00065 en This dataset is sourced from the paper 'Utilizing Stress to Control the Electronic Properties of Two-Dimensional Novel SixCy, which includes the original graphical data of the main text and supplementary materials. The data mainly includes the atomic structure changes, band structure and bandgap changes, topological property analysis, and stress-strain curve data obtained from molecular dynamics simulations of the two-dimensional topological semi-metallic materials Si2C6 and Si12C20, as well as the two-dimensional high-order topological insulator material Si6C12 under different biaxial/uniaxial tensile and compressive strain conditions. The data is obtained through first-principles calculations (DFT) based on density functional theory and classical molecular dynamics simulations (MD), and can be used for studying the strain-controlled electronic properties, topological phase transition behavior, and mechanical properties of two-dimensional SixCy materials.  SixCy; strain; electronic properties Huang Kui shattered Wang Kexin Luo Wanhao Li Fei Ge Yiyao Gao Yixuan Chen Kexin PUBLIC https://opendatacommons.org/licenses/by/1-0/ dataset Science Data Bank