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Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu3(OH)6Cl2

Yasir Iqbal, Harald O. Jeschke, Johannes Reuther, Roser Valentí, I. I. Mazin, Martin Greiter, and Ronny Thomale
Phys. Rev. B 92, 220404(R) – Published 7 December 2015
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Abstract

Frustrated magnetism on the kagome lattice has been a fertile ground for rich and fascinating physics, ranging from experimental evidence of a spin liquid to theoretical predictions of exotic superconductivity. Among experimentally realized spin-12 kagome magnets, herbertsmithite, kapellasite, and haydeeite [(Zn,Mg)Cu3(OH)6Cl2] are all well described by a three-parameter Heisenberg model, but they exhibit distinctly different physics. We address the problem using a pseudofermion functional renormalization-group approach and analyze the low-energy physics in the experimentally accessible parameter range. Our analysis places kapellasite and haydeeite near the boundaries between magnetically ordered and disordered phases, implying that slight modifications could dramatically affect their magnetic properties. Inspired by this, we perform ab initio density functional theory calculations of (Zn,Mg,Cd)Cu3 (OH)6Cl2 at various pressures. Our results suggest that by varying pressure and composition one can traverse a paramagnetic regime between different magnetically ordered phases.

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  • Received 21 July 2015
  • Revised 11 November 2015

DOI:https://doi.org/10.1103/PhysRevB.92.220404

©2015 American Physical Society

Authors & Affiliations

Yasir Iqbal1,*, Harald O. Jeschke2,†, Johannes Reuther3,4,‡, Roser Valentí2,§, I. I. Mazin5,∥, Martin Greiter1,¶, and Ronny Thomale1,#

  • 1Institute for Theoretical Physics and Astrophysics, Julius-Maximilian's University of Würzburg, Am Hubland, D-97074 Würzburg, Germany
  • 2Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Straße 1, D-60438 Frankfurt am Main, Germany
  • 3Dahlem Center for Complex Quantum Systems and Fachbereich Physik, Freie Universität Berlin, D-14195 Berlin, Germany
  • 4Helmholtz-Zentrum Berlin für Materialien und Energie, D-14109 Berlin, Germany
  • 5Center for Computational Materials Science, Naval Research Laboratory, Code 6390, 4555 Overlook Ave, SW, Washington, DC 20375, USA

  • *yiqbal@physik.uni-wuerzburg.de
  • jeschke@itp.uni-frankfurt.de
  • reuther@zedat.fu-berlin.de
  • §valenti@itp.uni-frankfurt.de
  • mazin@nrl.navy.mil
  • greiter@physik.uni-wuerzburg.de
  • #rthomale@physik.uni-wuerzburg.de

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Issue

Vol. 92, Iss. 22 — 1 December 2015

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