Cr1/4NbSe2-Single Crystal Growth and Evolution of Antiferromagnetic Correlated States

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Contributors

  • Nour Abdelrahman - , Chair of Experimental Solid State Physics, Leibniz Institute for Solid State and Materials Research Dresden, Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Author)
  • Bastian Rubrecht - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Matheus Felipe de Souza Barbosa - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Mahdi Behnami - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Dmitriy Efremov - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Daniel Wolf - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Martin Valldor - , University of Oslo (Author)
  • Alexey A. Popov - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Stanislav M. Avdoshenko - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Marco Naumann - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Martin Knupfer - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Vladislav Kataev - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Alexey Alfonsov - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Anja U.B. Wolter - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Michael Mertig - , Chair of Physical Chemistry / Measurement and Sensor Technology, Kurt Schwabe Institut Meinsberg (Author)
  • Bernd Büchner - , Clusters of Excellence ctd.qmat: Complexity, Topology and Dynamics in Quantum Matter, Chair of Experimental Solid State Physics, Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • Silke Hampel - , Leibniz Institute for Solid State and Materials Research Dresden (Author)

Abstract

Transition-metal dichalcogenides provide a versatile platform for the intercalation of magnetic ions in their van der Waals gaps, enabling tuning of correlated electronic and magnetic states. Despite extensive studies on sulfide-based systems, CrxNbSe2 remains poorly understood due to scarcity of single-crystals and uncertainties in structural analyses leading to contradictory reports on its magnetic behavior. Here, high-quality single crystals of Cr1/4NbSe2 via chemical vapor transport were synthesized, along with comprehensive investigation of chemical, structural, electronic, optical, electrical, and magnetic properties, supported by density-functional theory calculations, presented for the first time. Single crystal x-ray diffraction, scanning transmission electron microscopy, and selected area electron diffraction reveal ordered Cr intercalation forming a centrosymmetric 2 × 2 superlattice with hexagonal symmetry P63/mmc. Optical reflectivity indicates an enhanced electron scattering rate. DFT calculations predict antiferromagnetic ground state induced by Cr intercalation. Consistently, SQUID magnetometry and specific heat measurements hint a correlated antiferromagnetic state at TN ≈ 107 K, while resistivity measurements show metallic transport, with no signatures of superconductivity. Electron spin resonance suggests weak internal field which possibly arise from subtle magnetic anisotropy, undetectable in angle-resolved magnetometry. These findings resolve longstanding inconsistencies and establish Cr1/4NbSe2 as a benchmark vdW antiferromagnet for next-generation spintronic and quantum materials.

Details

Original languageEnglish
Article numbere78151
JournalAdvanced science
Publication statusE-pub ahead of print - 4 Oct 2026
Peer-reviewedYes

External IDs

PubMed 42829939

Keywords

Keywords

  • antiferromagnetic correlated state, Cr Intercalation, DFT calculations, magnetic anisotropy, reflectivity, resistivity, single crystal synthesis