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

Yasir Iqbal, Harald Olaf Jeschke, Johannes Reuther, Roser Valentí, I. I. Mazin, Martin Greiter, Ronny Thomale

Research output: Contribution to journalArticle

40 Citations (Scopus)

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.

Original languageEnglish
Article number224408
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume92
Issue number22
DOIs
Publication statusPublished - Dec 7 2015
Externally publishedYes

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Paramagnetism
paramagnetism
Physics
physics
Magnetism
Superconductivity
Functional groups
Density functional theory
Magnets
Magnetic properties
magnets
superconductivity
density functional theory
magnetic properties
Liquids
liquids
predictions
Chemical analysis
energy

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu3(OH)6Cl2. / Iqbal, Yasir; Jeschke, Harald Olaf; Reuther, Johannes; Valentí, Roser; Mazin, I. I.; Greiter, Martin; Thomale, Ronny.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 92, No. 22, 224408, 07.12.2015.

Research output: Contribution to journalArticle

Iqbal, Yasir ; Jeschke, Harald Olaf ; Reuther, Johannes ; Valentí, Roser ; Mazin, I. I. ; Greiter, Martin ; Thomale, Ronny. / Paramagnetism in the kagome compounds (Zn,Mg,Cd)Cu3(OH)6Cl2. In: Physical Review B - Condensed Matter and Materials Physics. 2015 ; Vol. 92, No. 22.
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