About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Magnetism and Magnetic Materials
|
| Presentation Title |
Fermi-surface nesting, electronic phase transformations, and anomalous response |
| Author(s) |
Prashant Singh, Yaroslav Mudryk, Anis Biswas |
| On-Site Speaker (Planned) |
Prashant Singh |
| Abstract Scope |
Understanding the electronic mechanisms governing phase instabilities is essential for controlling structural evolution and functional properties in advanced magnetic materials. Here, we present a comparative first-principles investigation of three structurally distinct magnetic intermetallics - a CsCl-type ferromagnet, a full-Heusler antiferromagnet, and a hexagonal frustrated magnet - to elucidate the role of Fermi-surface nesting in electronically driven phase instabilities. Parallel Fermi-surface sheets connected by characteristic nesting vectors generate pronounced peaks in the bare electronic susceptibility, indicating charge-density-wave-like tendencies and enhanced electronic instability. These nesting features also correlate with anomalous Hall response. Despite their distinct crystal structures and magnetic ground states, all three systems exhibit a common nesting-driven behavior, demonstrating that Fermi-surface topology provides a unifying framework for understanding electronically driven phase transformations and guiding the design of functional magnetic intermetallics with tunable transport properties. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Magnetic Materials, Modeling and Simulation, Computational Materials Science & Engineering |