Electronic structure of antiferromagnetic La2NiO4 and La1.5Sr0.5NiO4 systems

✍ Scribed by Barbara Szpunar; Vedene H. Smith Jr.; Jozef SpaŁek

• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 639 KB
• Volume: 161
• Category: Article
• ISSN: 0921-4534
• DOI: 10.1016/0921-4534(89)90089-0

✦ Synopsis

Electric band-structure calculations for La2NiO4 and Lat.sSro.5NiO4 have been performed within the linear-muffin-tin orbital atomic-sphere approximation. A stable antiferromagnetic metallic solution for La2NiO4 is found for the equilibrium ratio of the lattice constants c/a=2.31 and in the tetragonal phase. Also, the 5d states due to La contribute to the density of states at the Fermi energy. The number of holes in the NiO2 plane does not change appreciably with 25% Sr substitution for La. This may explain why the recently observed onset of superconductivity at temperature Too = 70 K is similar for both pure and Sr-doped La2NiO4 systems.