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Noncubic Behavior of Antiferromagnetic Transition-Metal Monoxides with the Rocksalt Structure

Authors :
Sandro Massidda
M. Posternak
Alfonso Baldereschi
Raffaele Resta
Source :
Physical Review Letters. 82:430-433
Publication Year :
1999
Publisher :
American Physical Society (APS), 1999.

Abstract

We give evidence that some nonmagnetic (i.e., spin-integrated) properties of the antiferromagnetic late transition-metal monoxides (MnO, FeO, CoO, NiO) are substantially noncubic below the N\'eel temperature even when assuming the ideal rocksalt structure for the ions. Our findings, which are at variance with the currently accepted picture, are based on ab initio and model calculations for the case study of MnO. The calculated zone-center optic phonon frequencies and Born effective charge tensor of this material show a significant magnetic-induced anisotropy.

Details

ISSN :
10797114 and 00319007
Volume :
82
Database :
OpenAIRE
Journal :
Physical Review Letters
Accession number :
edsair.doi...........614897430daace76c9cd7e3576800c5c