Spin polarization driven by a charge-density wave in monolayer 1T−TaS2

Qingyun Zhang, Liyong Gan, Yingchun Cheng, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

Using first-principles calculations, we investigate the electronic and vibrational properties of monolayer T-phase TaS2. We demonstrate that a charge-density wave is energetically favorable at low temperature, similar to bulk 1T-TaS2. Electron-phonon coupling is found to be essential for the lattice reconstruction. The charge-density wave results in a strong localization of the electronic states near the Fermi level and consequently in spin polarization, transforming the material into a magnetic semiconductor with enhanced electronic correlations. The combination of inherent spin polarization with a semiconducting nature distinguishes the monolayer fundamentally from the bulk compound as well as from other two-dimensional transition metal dichalcogenides. Monolayer T-phase TaS2 therefore has the potential to enable two-dimensional spintronics. © 2014 American Physical Society.
Original languageEnglish (US)
JournalPhysical Review B
Volume90
Issue number8
DOIs
StatePublished - Aug 6 2014

Fingerprint Dive into the research topics of 'Spin polarization driven by a charge-density wave in monolayer 1T−TaS2'. Together they form a unique fingerprint.

Cite this