Comparison of the electronic structure of La2CuO4, La2NiO4, and K2CuF4
โ Scribed by J.B. Grant; A.K. McMahan
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 129 KB
- Volume
- 162-164
- Category
- Article
- ISSN
- 0921-4534
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
were analyzed by examining the structures of their spin monomers and calculating the energy di4erences e in the spin levels of their spin dimers. The trends in the observed J parameters are well explained in terms of the e values obtained from extended HuK ckel molecular orbital calculations. The e
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 tetragona