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First-principles study on the mechanical, electronic and magnetic properties of Fe3C

โœ Scribed by Z.Q. Lv; F.C. Zhang; S.H. Sun; Z.H. Wang; P. Jiang; W.H. Zhang; W.T. Fu


Book ID
116375160
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
316 KB
Volume
44
Category
Article
ISSN
0927-0256

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First-principles calculations on the electronic and magnetic properties of TlNiO 3 reveal that the antiferromagnetic structure with the insulating ground state is more stable than other possible configurations in the monoclinic structure. The band gap of the antiferromagnetic insulating ground state