Electronic Band Structure and Madelung Potential Study of the Nickelates La2NiO4, La3Ni2O7, and La4Ni3O10

D. K. Seo, W. Liang, M. H. Whangbo, Z. Zhang, M. Greenblatt

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

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 Ln4Ni3O10 (Ln = La, 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 eg block bands of the nickelates were discussed.

Original languageEnglish
Pages (from-to)6396-6400
Number of pages5
JournalInorganic Chemistry
Volume35
Issue number22
Publication statusPublished - Dec 1 1996

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Fingerprint Dive into the research topics of 'Electronic Band Structure and Madelung Potential Study of the Nickelates La<sub>2</sub>NiO<sub>4</sub>, La<sub>3</sub>Ni<sub>2</sub>O<sub>7</sub>, and La<sub>4</sub>Ni<sub>3</sub>O<sub>10</sub>'. Together they form a unique fingerprint.

  • Cite this