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Title
Electronic and magnetic structure of (CrCl3)3
AuthorGrodzicki, M ; Mallick, B ; Mudring, A-V
Published in
Journal of Physics: Conference Series, Bristol, 2010, Vol. 2010, Issue 200, page 1-4
PublishedIOP Publishing, 2010
LanguageEnglish
Document typeJournal Article
ISSN1742-6596
URNurn:nbn:at:at-ubs:3-5908 Persistent Identifier (URN)
DOI10.1088/1742-6596/200/3/032020 
Restriction-Information
 The work is publicly available
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Electronic and magnetic structure of (CrCl3)3 [0.4 mb]
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Abstract (English)

Electronic structure calculations in the local spin-density approximation have been carried out on the recently synthesized trimer (CrCl3)3 exhibiting antiferromagnetic ordering below TN =55 K. The calculated magnetic coupling constant, the paramagnetic Curie temperature, and the decrease of the magnetic moment below TN are well reproduced by the calculations. An interpretation of the spin structure is given that is consistent with all experimental data currently available.

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