Atomistic Simulation-Driven Design STM Tips is a M.Tech project topic for Mechanical Engineering. It gives students a clear starting point for research, implementation planning, and documentation.
Atomistic Simulation-Driven Design STM Tips Project Details
| Abstract |
This project looks at how to design scanning tunneling microscopy (STM) tips that are good at picking up nickelocene (NiCp2) molecules and changing their spin states. We use density functional theory (DFT) and molecular dynamics (MD) simulations to model the structure, electronics, and magnetism where the tip meets the molecule. The design process tests different tip materials, shapes, and crystal faces to see how they affect the adsorption energy and the stability of the molecule’s spin state. By studying charge transfer and the local density of states (LDOS), we can predict how the spin state will change when we apply a bias voltage or move the tip mechanically. The simulations
also let us calculate magnetic anisotropy and exchange coupling, giving a solid theoretical base for molecular spintronics and tiny sensors. Overall, the framework provides a step‑by‑step way to evaluate tip‑sample interactions and to create precise probes that can control quantum states of single molecules.
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| Reference Paper |
Atomistic Simulation-Driven Design of STM Tips for NiCp<sub>2</sub> Adsorption and Spin-State Modulation. |
| Domain |
Mechanical Engineering |
| Sub-Domain |
Design & Manufacturing / CAD/CAM/CAE / Simulation-Driven Design |
| PDF Download |
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| Get Help |
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