Highly Influential

4 Excerpts

First-principles calculations using the Korringa-Kohn-Rostocker method and the Coherent-Potential Approximation for Fe-Ni, Fe-NiCo and Fe-Pt alloys show that several features are responsible for the Invar anomalies. Atomic short range ordering in the alloys is responsible for the appearance of antiferromagnetic and non-colinear magnetic moments. The antiferromagnetic contributions are responsible for two effects, the negative anharmonicity due to the tendency of the alloys to have a smaller lattice constant, as well as the tendency to have a larger lattice constant because of additional density of states of antibonding majority-spin orbitals at the Fermi level, which simultaneously stabilizes the antiferromagnetic moments.

@inproceedings{ENTELaFIRSTPRINCIPLESCO,
title={FIRST-PRINCIPLES CALCULATIONS OF THE INSTABILITIES IN Fe-(Ni, Co, Pt) ALLOYS},
author={P. ENTELa and Valer-Alin Crisan and Hiroko Akai}
}