NDLI: Properties of the antiferromagnetic selenite $MnSeO_{3}$ and its non-magnetic analogue $ZnSnO_{3}$ from first principles calculations

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Properties of the antiferromagnetic selenite $MnSeO_{3}$ and its non-magnetic analogue $ZnSnO_{3}$ from first principles calculations

Content Provider	Scilit
Author	Honer, Cory J. Prosniewski, Matthew J. Putatunda, Aditya Singh, David Joseph
Copyright Year	2017
Description	Journal: Journal of Physics: Condensed Matter We report properties of the antiferromagnetic selenite MnSeO3 and the non-magnetic analogue ZnSeO3, based on first principles calculations. These compounds are rare examples of ABO3 perovskites with a tetravalent A-site and a divalent B-site. The electronic structure is discussed in the context of the bonding and crystal structure. There is cross-gap hybridization between the O p states that form the valence bands of these compounds, and the unoccupied p states of Se, reflecting the lone pair physics that leads to the strong off-centering of Se from the perovskite A-site. The G-type antiferromagnetism of MnSeO3 is local moment in nature arising from high spin Mn2+ with short range interactions. There is additionally an interesting spin-dependent hybridization of Mn d and O p states analogous to that in the colossal magnetoresistance manganites.
Related Links	http://iopscience.iop.org/article/10.1088/1361-648X/aa7f89/pdf
ISSN	09538984
e-ISSN	1361648X
DOI	10.1088/1361-648x/aa7f89
Journal	Journal of Physics: Condensed Matter
Issue Number	40
Volume Number	29
Language	English
Publisher	IOP Publishing
Publisher Date	2017-07-13
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics: Condensed Matter Condensed Matter Physics Antiferromagnetic
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Materials Science

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