Magnetic stress as a driving force of structural distortions: the case of CrN

Details Magnetic stress as a driving force of structural distortions: the case of CrN Magnetic stress as a driving force of structural distortions: the case of CrN

2000-04-14

arxiv.org/abs/cond-mat/0004252v1

Physics

Condensed Matter

Materials Science

4 pages (two columns) 4 figures

Scientific paper

10.1103/PhysRevLett.85.5166

We show that the observed transition from rocksalt to orthorhombic P$_{nma}$ symmetry in CrN can be understood in terms of stress anisotropy. Using local spin density functional theory, we find that the imbalance between stress stored in spin-paired and spin-unpaired Cr nearest neighbors causes the rocksalt structure to be unstable against distortions and justifies the observed antiferromagnetic ordering. This stress has a purely magnetic origin, and may be important in any system where the coupling between spin ordering and structure is strong.

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