Effect of Structure on the Electronic Density of States of Doped Lanthanum Cuprate

TL;DR

This study uses detailed band calculations to analyze how different structural phases of doped lanthanum cuprate influence its electronic density of states, revealing minimal effects from certain distortions and significant changes at larger tilt angles.

Contribution

It provides a comprehensive analysis of the impact of structural distortions on the electronic properties of doped lanthanum cuprate, highlighting the effects of tilt angles on the density of states.

Findings

LTO distortion has little effect on DOS.

Only 2.5% of DOS is affected by HTT to LTO transition.

Large tilt angles cause dramatic changes in DOS.

Abstract

We present a series of detailed band calculations on the various structural phases of doped lanthanum cuprate: HTT, LTO, and LTT. The LTO distortion is shown to have little effect on the electronic density of states (DOS). A fit to the pressure dependence of the superconducting transition temperature indicates that only 2.5% of the DOS is affected by the HTT$\to$ LTO transition. The LTT distortion also has little effect on the DOS for the experimental value of the octahedral tilt angle. Larger tilt angles, though, lead to a dramatic change in the DOS.