3 papers
cond-mat.mtrl-sci2026
Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers
Sijia Ke, Yusuf Shaidu, Jeffrey B. Neaton
The degree of electronic coupling between individual layers in few-layer van der Waals heterostructures offers a route to engineer their magnetic, electronic, and optical functiona…
cond-mat.mes-hall2025
Electron-magnon coupling at the interface of a "twin-twisted" antiferromagnet
Yue Sun, Fanhao Meng, Sijia Ke +9
We identify a "twin-twist" angle in orthorhombic two-dimensional magnets that maximizes interlayer orbital overlap and enables strong interfacial coupling. Focusing on the van der…
cond-mat.mtrl-sci2025
Accurate Point Defect Energy Levels from Non-Empirical Screened Range-Separated Hybrid Functionals: the Case of Native Vacancies in ZnO
Sijia Ke, Stephen E. Gant, Leeor Kronik +1
We use density functional theory (DFT) with non-empirically tuned screened range-separated hybrid (SRSH) functionals to calculate the electronic properties of native zinc and oxyge…