Supplement Number 1
dataset
posted on 2025-01-13, 05:04 authored by Man Wang, Dan Wang, Haochen Liu, Sara Rahman, Honggang Ye, Jinying Yu, Yelong WuThe calculation details, the calculated charge density distributions of bonding for SI1 i and SI2 i with their surrounding Cd atoms, and the calculated band diagrams of the Σ3 (112) Te-core GBs containing defects, specifically the 2ClTe, 2ClTe+STe2', and 2ClTe+STe3 configurations.
