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  6. TR 288: Elastic Tuning and Response of Electronic Quantum Phases of Matter of Electronic Q
  7. TR 288 - Elasto-Q-Mat: Research Data
  8. A j_eff 12 Kitaev material on the triangular lattice: The case of NaRuO2
 
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Title(s)
TitleLanguage
A j_eff 12 Kitaev material on the triangular lattice: The case of NaRuO2
en
 
Author(s)
NameORCIDGNDAffiliation
Razpopov, Aleksandar orcid-logo
0009-0009-6935-3297
Goethe University Frankfurt 
 
Project(s)
TR 288: Elastic Tuning and Response of Electronic Quantum Phases of Matter of Electronic Q 
 
Faculty
13 Physics
 
DFG-Subject
307-02 Theoretical Condensed Matter Physics
 
Date Issued
07 June 2023
 
Publisher(s)
Goethe-Universität Frankfurt
 
Handle
https://gude.uni-frankfurt.de/handle/gude/232
 
DOI
10.25716/gude.0rta-4m4j
 

Type(s) of data
Dataset
 
Language(s)
en
 
Subject Keyword(s)
  • DFT

  • ED

  • NaRuO2

  • Magnetism

  • LSWT

 
Abstract(s)
AbstractLanguage
Motivated by recent reports of a quantum disordered ground state in the triangular lattice compound NaRuO$_2$, we derive a $j_{\rm eff}=1/2$ magnetic model for this system by means of first-principles calculations. The pseudospin Hamiltonian is dominated by bond-dependent off-diagonal $\Gamma$ interactions, complemented by a ferromagnetic Heisenberg exchange and a notably \emph{antiferromagnetic} Kitaev term.
In addition to bilinear interactions, we find a sizable four-spin ring exchange contribution with a \emph{strongly anisotropic} character, which has been so far overlooked when modeling Kitaev materials. The analysis of the magnetic model, based on the minimization of the classical energy and exact diagonalization of the quantum Hamiltonian, points toward the existence of a rather robust easy-plane ferromagnetic order, which cannot be easily destabilized by physically relevant perturbations.
en
 
Description(s)
DescriptionLanguage
All computation details (input, output, source codes, DFT, ProjED, classical minimization, TEMA) and figures are included.
In each folder the computation details with detailed README File are included.
 

License
Creative Commons Attribution 4.0 International (CC BY 4.0) cclicense-logocclicense-logo
 

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Acquisition Date
May 17, 2025
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Acquisition Date
May 17, 2025
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