Magnetic Properties and the Electric Field Gradients of Fe4N and Fe4C
- 70 Downloads
The magnetic properties and the hyperfine interactions of Fe4N and Fe4C under high pressures are discussed on the basis of first-principles electronic structure calculations performed by the KKR Green's function method and its extention into a full potential scheme (FP-KKR). The results show that both Fe4N and Fe4C undergo a weak first order transition from high to low spin states under pressure. This transition is sensitively reflected not only by H hf but also by EFG. The calculated Curie temperature, magnetic moments and H hf well reproduce the experimental observations.
Key Wordshyperfine field full potential KKR electric field gradient binding surface magnetic state
Unable to display preview. Download preview PDF.