Apical Charge Flux-Modulated In-Plane Transport Properties of Cuprate Superconductors

Sooran Kim, Xi Chen, William Fitzhugh, and Xin Li
Phys. Rev. Lett. 121, 157001 – Published 9 October 2018
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Abstract

For copper-based superconductors, the maximum superconducting transition temperature Tc,max of different families measured from experiment can vary from 38 K in La2CuO4 to 135 K in HgBa2Ca2Cu3O8 at the optimal hole doping concentration. We demonstrate herein, using ab initio computations, a new trend suggesting that the cuprates with stronger out-of-CuO2-plane chemical bonding between the apical anion (O, Cl) and apical cation (e.g., La, Hg, Bi, Tl) are generally correlated with higher Tc,max in experiments. We then show the underlying fundamental phenomena of coupled apical charge flux and lattice dynamics when the apical oxygen oscillates vertically. This triggers the charge flux among the apical cation, apical anion, and the in-plane CuO4 unit. The effect not only dynamically modulates the site energy of the hole at a given Cu site to control the in-plane charge transfer energy, but also can modulate the in-plane hole hopping integral simultaneously in a dynamic way by the cooperative apical charge fluxes.

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  • Received 26 March 2018
  • Revised 25 June 2018

DOI:https://doi.org/10.1103/PhysRevLett.121.157001

© 2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Sooran Kim, Xi Chen, William Fitzhugh, and Xin Li*

  • John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA

  • *Corresponding author. lixin@seas.harvard.edu
  • Present address: Department of Physics Education, Kyungpook National University, Daegu, 41566, Korea.

Comments & Replies

Comment on “Apical Charge Flux-Modulated In-Plane Transport Properties of Cuprate Superconductors”

E. Pavarini, I. Dasgupta, T. Saha-Dasgupta, and O. K. Andersen
Phys. Rev. Lett. 124, 109701 (2020)

Li et al. Reply:

Xin Li, Sooran Kim, Xi Chen, and William Fitzhugh
Phys. Rev. Lett. 124, 109702 (2020)

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Vol. 121, Iss. 15 — 12 October 2018

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