2 papers
cond-mat.mtrl-sci2026
Domain-Direct Band Gaps: Classification and Material Realization
Yalan Wei, Hairui Ding, Shifang Li +4
The conventional classification of direct band-gap semiconductors relies on point-like extrema in momentum space. Here, we introduce the concept of domain-direct band gaps, where t…
cond-mat.mtrl-sci2025
Nudged elastic band calculations of stacking and dislocation pathways in diamond
Chunxia Chi, Hairui Ding, Xiang-Feng Zhou +1
Diamond, the hardest natural crystal, has attracted significant attention for its plasticity, which is reported to be determined by its stacking faults. Studies mainly focused on o…