First-principles determination of magnetic properties
โ Scribed by Wu, Ruqian; Yang, Zongxian; Hong, Jisang
- Book ID
- 127052851
- Publisher
- Institute of Physics
- Year
- 2003
- Tongue
- English
- Weight
- 214 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0953-8984
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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