English

Theory of the ferromagnetism in TiCrN solid solutions

Materials Science 2010-12-14 v1 Disordered Systems and Neural Networks

Abstract

First-principles calculations are used to investigate the magnetic properties of Ti1x_{1-x}Crx_{x}N solid solutions. We show that the magnetic interactions between Cr spins that favour antiferromagnetism in CrN is changed upon alloying with TiN leading to the appearance of ferromagnetism in the system at approximately x0.50x \leq 0.50 in agreement with experimental reports. Furthermore we suggest that this effect originates in an electron density redistribution from Ti to Cr that decreases the polarization of Cr d-states with t2g_{2g} symmetry while it increases the polarization of Cr d-states with eg_g symmetry, both changes working in favour of ferromagnetism.

Keywords

Cite

@article{arxiv.1004.2337,
  title  = {Theory of the ferromagnetism in TiCrN solid solutions},
  author = {B. Alling},
  journal= {arXiv preprint arXiv:1004.2337},
  year   = {2010}
}

Comments

21 pages, 7 figures

R2 v1 2026-06-21T15:10:09.671Z