Structural, electronic, and magnetic properties of vanadium-based Janus dichalcogenide monolayers: A first-principles study

Dibyendu Dey, Antia S. Botana

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

The structural, electronic, and magnetic properties of VSSe, VSeTe, and VSTe monolayers in both 2H and 1T phases are investigated via first-principles calculations. The 2H phase is energetically favorable in VSSe and VSeTe, whereas the 1T phase is lower in energy in VSTe. For V-based Janus monolayers in the 2H phase, calculations of the magnetic anisotropy show an easy-plane for the magnetic moment. As such, they should not exhibit a ferromagnetic phase transition, but instead, a Berezinskii-Kosterlitz-Thouless (BKT) transition. A classical XY model with nearest-neighbor coupling estimates critical temperatures (TBKT) ranging from 106 K for VSSe to 46 K for VSTe.

Original languageEnglish (US)
Article number074002
JournalPhysical Review Materials
Volume4
Issue number7
DOIs
StatePublished - Jul 2020

ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy (miscellaneous)

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