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perovskites ( M =Ti–Cu): First-principles study

✍ Scribed by Solovyev, Igor; Hamada, Noriaki; Terakura, Kiyoyuki


Book ID
126482982
Publisher
The American Physical Society
Year
1996
Tongue
English
Weight
255 KB
Volume
53
Category
Article
ISSN
1098-0121

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Antiferromagnetism of perovskite EuZrO3
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Electronic structure and magnetic properties of perovskite EuZrO 3 have been investigated using the ab initio density-functional calculations with local spin density approximation (LSDA) and LSDA þU methods. The results that are obtained reveal that the antiferromagnetic G-type arrangement is more s