Jahn–Teller distortion and electronic structure of LiMn2O4
✍ Scribed by C.Y. Ouyang; S.Q. Shi; M.S. Lei
- Book ID
- 116603850
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 504 KB
- Volume
- 474
- Category
- Article
- ISSN
- 0925-8388
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📜 SIMILAR VOLUMES
Al-doped lithium manganese spinels, with starting composition Li 1.02 Al x Mn 1.982x O 4 ð0:00 , x # 0:06Þ; are investigated to determine the influence of the Al 3þ doping on the Jahn -Teller (J-T) cooperative transition temperature T J -T : X-ray powder diffraction (XRPD), nuclear magnetic resonanc
The O-ccntcr in CaFa is invcstisatcd by performing multiple scattcrirq Xa calculations on the (Ore)'-cluster. In agreement with cxpcrimcnt, a strong Jahn-Teller distortion of tctrqondl symmetry is prcdictcd. Finally the ground state electronic structure of the cluster is discussed.