ELECTRONIC BAND STRUCTURE AND MADELUNG POTENTIAL STUDY OF THE NICKELATES LA2NIO4, LA3NI2O7, AND LA4NI3O10

摘要

Tight-binding electronic band structures and Madelung potentials were calculated for La2NiO4, La3Ni2O7, and La4Ni3O10 to examine why a metal-to-metal transition occurs in the nickelate Ln(4)Ni(3)O(10) (Ln = Ea, Nd, Pr). La4Ni3O10 and La3Ni2O7 are each found to have two hidden one-dimensional (1D) Fermi surfaces, which suggests that both compounds should possess a charge density wave instability. Factors leading to hidden 1D Fermi surfaces in the e(g), block bands of the nickelates were discussed. [References: 52]