First principle computation of stripes in cuprates

TL;DR

This paper uses first principle calculations to study stripe formations in cuprates, revealing the instability of Cu-centered stripes and the properties of O-centered stripes, aligning with experimental observations.

Contribution

It provides a novel first-principles analysis of stripe stability and electronic structure in cuprates, connecting theoretical predictions with experimental data.

Findings

Cu-centered stripes are unstable towards O-centered stripes

The metallic core of stripes is wide with reduced magnetic moments

Fermi surface warping matches angle-resolved photoemission data

Abstract

We present a first principle computation of vertical stripes in $La_{15/8}Sr_{1/8}CuO_4$ within the LDA+U method. We find that Cu centered stripes are unstable toward O centered stripes. The metallic core of the stripe is quite wide and shows reduced magnetic moments with suppressed antiferromagnetic (AF) interactions. The system can be pictured as alternating metallic and AF two-leg ladders the latter with strong AF interaction and a large spin gap. The Fermi surface shows warping due to interstripe hybridization. The periodicity and amplitude of the warping is in good agreement with angle resolved photoemission experiment. We discuss the connection with low-energy theories of the cuprates.