posted on 2025-06-24, 12:04authored byQian Liu, XuDong Huang, Jianju Chen, Dan Wu, Xiao-Qing Deng, zhiqiang fan, Hai-Qing Xie, Ke-Qiu Chen
Supplementary material for the computational methods, structural stability of heterojunctions, one-dimensional and spatial charge density distributions of heterojunctions, as well as PLDOS and spectral current of Schottky diode.