Bulk and Surface Nanoscale Hole Density Inhomogeneity in HgBa$_2$CuO$_{4+\delta}$ and Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ Cuprates

TL;DR

This study reveals that hole density inhomogeneity in HgBa$_2$CuO$_{4+eta}$ and Bi$_2$Sr$_2$CaCu$_2$O$_{8+eta}$ is comparable to La$_{2-x}$Sr$_x$CuO$_4$, with implications for their superconducting properties.

Contribution

The paper provides computational evidence that charge inhomogeneity in HgBa$_2$CuO$_{4+eta}$ is similar to La$_{2-x}$Sr$_x$CuO$_4$, challenging previous assumptions of uniformity.

Findings

Charge inhomogeneity is most pronounced at the surface layer.

Hole mean free path in HgBa$_2$CuO$_{4+eta}$ is longer than in La$_{2-x}$Sr$_x$CuO$_4$.

Screening of Coulomb repulsion is stronger in HgBa$_2$CuO$_{4+eta}$.

Abstract

It is well established that the hole density in the prototypical superconductor La$_{2-x}$Sr$_x$CuO$_4$ is very inhomogeneous due to Sr-dopant induced disorder. On the other hand, until recently it is widely believed that the hole distribution in HgBa$_2$CuO$_{4+\delta}$ and Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ doped by interstitial oxygen is much more uniform. Recent nuclear magnetic resonance measurements indicate, however, that the charge inhomogeneity in HgBa$_2$CuO$_{4+\delta}$ is close to that in La$_{2-x}$Sr$_x$CuO$_4$. Calculations performed in the present paper confirm this observation. We also show that the charge inhomogeneity is most pronounced at the surface layer that can be probed by scanning tunneling microscope. Our simulations demonstrate that, despite having similar amplitudes of charge inhomogeneity, the hole mean free path in HgBa$_2$CuO$_{4+\delta}$ is substantially longer than that in La$_{2-x}$Sr$_x$CuO$_4$. The screening of Coulomb repulsion in HgBa$_2$CuO$_{4+\delta}$ is also stronger. These two reasons might explain the difference in superconducting critical temperatures between these two compounds.