Electronic Structures of Sr_{14-x}Ca_{x}Cu24O41

TL;DR

This paper investigates the electronic structures of Sr_{14-x}Ca_{x}Cu24O41 using local density approximation, revealing quasi-one-dimensional bands and the effects of Ca substitution on charge distribution.

Contribution

It provides detailed calculations of electronic structures and inter-ladder hoppings, highlighting the impact of Ca substitution on the material's electronic properties.

Findings

Existence of quasi-one-dimensional bands near the Fermi energy.

Inter-ladder hoppings are 5-20% of intra-ladder hoppings.

Ca substitution influences charge distribution and electronic structure.

Abstract

The electronic structures of Sr_{14-x}Ca_{x}Cu24O41 are calculated within the local density approximation. Around the Fermi energy there exist quasi-one-dimensional bands originated from the ladder and chain layers. The nearest-neighbor inter-ladder hoppings are estimated to be 5--20% of the intra-ladder ones. Possible effects of Ca substitution on electronic structures and charge distribution are also discussed.