1：Experimental Design and Method Selection:

The study uses a three-orbital tight-binding (3OTB) model based on first principles and experimental parameters to simulate lateral heterostructures of TMDs like MoS2-WS2 and MoSe2-WSe

2：The model includes Hamiltonians for pristine TMDs and their interfaces, considering band offsets and hybridization parameters. Sample Selection and Data Sources:

Commensurate TMD heterostructures with zigzag and armchair terminations are modeled, with system sizes of N=100 and H=40 (4000 metal atoms) to ensure localized states without interference. Parameters such as spin-orbit coupling strengths and band alignments are taken from DFT calculations and experimental data.

3：List of Experimental Equipment and Materials:

No specific physical equipment is mentioned; the study is computational, relying on theoretical models and numerical diagonalization techniques.

4：Experimental Procedures and Operational Workflow:

The tight-binding Hamiltonian is numerically diagonalized to obtain band structures and wave functions. Analytical models are fitted to the numerical results to describe interfacial bands. The RKKY interaction is calculated using both triplet-singlet energy difference and perturbation theory methods.

5：Data Analysis Methods:

Band dispersions are analyzed to identify localized states. The RKKY interaction parameters (JXX, JZZ, JDM) are computed and their dependence on impurity separation and Fermi level is studied.