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
✦ LIBER ✦
Magnetic properties of MgCNi3−xFex by the first-principles study
✍ Scribed by Xiaohong Zheng; Ying Xu; Zhi Zeng; Elisa Baggio-Saitovitch
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 255 KB
- Volume
- 408-410
- Category
- Article
- ISSN
- 0921-4534
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
First-principles study of electronic and
✍
Zhi-Li Zhu; Jin-Hua Gu; Yu Jia; Xing Hu
📂
Article
📅
2010
🏛
Elsevier Science
🌐
English
⚖ 352 KB
Electronic and magnetic properties of Nd
✍
Sandeep; M.P. Ghimire; R.K. Thapa
📂
Article
📅
2011
🏛
Elsevier Science
🌐
English
⚖ 539 KB
First-principles study of electronic str
✍
Lang Sun; Guangshe Li; Wendan Cheng; Liping Li
📂
Article
📅
2010
🏛
Elsevier Science
🌐
English
⚖ 613 KB
Electronic structures of Mg 1-x Cr x O (x = 0, 0.25, 0.5, 0.75) were investigated based on first-principles calculations using generalized gradient approximation (GGA) and GGA + U. Different magnetic and electronic properties are predicted from the calculated spin-dependent density of states near th
Structural, elastic and electronic prope
✍
I.R. Shein; V.V. Bannikov; A.L. Ivanovskii
📂
Article
📅
2008
🏛
Elsevier Science
🌐
English
⚖ 445 KB
First-principles study of the structural
✍
M. Diviš
📂
Article
📅
2011
🏛
Elsevier Science
🌐
English
⚖ 132 KB
Theoretical investigation of magnetic pr
✍
T. Fukushima; K. Sato; H.K. Yoshida; P.H. Dederichs
📂
Article
📅
2006
🏛
Elsevier Science
🌐
English
⚖ 117 KB