Refined DFT recipe and renormalisation of band-edge parameters for electrons in monolayer MoS 2 informed by the measured spin-orbit splitting

arXiv:2602.09858 · cond-mat.mes-hall, cond-mat.mtrl-sci · Submitted 2026-02-10 · Read on arXiv

cond-mat.mes-hall, cond-mat.mtrl-sci

Submitted: 2026-02-10

Updated: 2026-02-10

DOI: 10.1021/acs.nanolett.6c00725

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Density Functional Theory (DFT) — 1× in this paper · explained in 2 episodes
• Fine-Tuning — 1× in this paper · explained in 5 episodes

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