Role of chemical pressure on the electronic and magnetic properties of the spin-12 kagome mineral averievite

Dibyendu Dey and Antia S. Botana
Phys. Rev. B 102, 125106 – Published 8 September 2020

Abstract

We investigate the electronic and magnetic properties of the kagome mineral averievite (CsCl)Cu5V2O10 and its phosphate analog (CsCl)Cu5P2O10 using first-principles calculations. The crystal structure of these compounds features Cu2+ kagome layers sandwiched between Cu2+P5+/Cu2+V5+ honeycomb planes, with pyrochlore slabs made of corner-sharing Cu tetrahedra being formed. The induced chemical pressure effect upon substitution of V by P causes significant changes in the structure and magnetic properties. Even though the in-plane antiferromagnetic (AFM) coupling J1 within the kagome layer is similar in the two materials, the interplane AFM coupling J2 between kagome and honeycomb layers is five times larger in the P variant, increasing the degree of magnetic frustration in the constituting Cu tetrahedra.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
1 More
  • Received 17 April 2020
  • Revised 23 July 2020
  • Accepted 24 August 2020

DOI:https://doi.org/10.1103/PhysRevB.102.125106

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Dibyendu Dey* and Antia S. Botana

  • Department of Physics, Arizona State University, Tempe, Arizona 85287, USA

  • *ddey3@asu.edu
  • antia.botana@asu.edu

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 102, Iss. 12 — 15 September 2020

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×