Magnetic properties of Fe1 -xNix alloy from CPA+DMFT perspectives
Abstract
We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe1 -xNix alloy from first principles. Calculated uniform magnetic susceptibilities have a Curie-Weiss-like behavior, and extracted effective temperatures are in agreement with the experimental results. The individual squared magnetic moments obtained as a function of nickel concentration follow the same trends as experimental data. An analysis of the ionic and spin weights shows a possibility of high-spin to intermediate- and low-spin state transitions at high temperatures.
- Publication:
-
Physical Review B
- Pub Date:
- May 2016
- DOI:
- arXiv:
- arXiv:1511.08625
- Bibcode:
- 2016PhRvB..93t5135P
- Keywords:
-
- Condensed Matter - Strongly Correlated Electrons
- E-Print:
- Phys. Rev. B 93, 205135 (2016)