Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors

Zhiyong Zhu, Yingchun Cheng, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

1051 Scopus citations

Abstract

Fully relativistic first-principles calculations based on density functional theory are performed to study the spin-orbit-induced spin splitting in monolayer systems of the transition-metal dichalcogenides MoS2, MoSe2, WS2, and WSe2. All these systems are identified as direct-band-gap semiconductors. Giant spin splittings of 148–456 meV result from missing inversion symmetry. Full out-of-plane spin polarization is due to the two-dimensional nature of the electron motion and the potential gradient asymmetry. By suppression of the Dyakonov-Perel spin relaxation, spin lifetimes are expected to be very long. Because of the giant spin splittings, the studied materials have great potential in spintronics applications.
Original languageEnglish (US)
JournalPhysical Review B
Volume84
Issue number15
DOIs
StatePublished - Oct 14 2011

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