Transition-metal dichalcogenides for spintronic applications

Nourdine Zibouche, Agnieszka Kuc, Janice Musfeldt, Thomas Heine

Research output: Contribution to journalArticlepeer-review

134 Citations (Scopus)


Spin-orbit splitting in transition-metal dichalcogenide monolayers is investigated on the basis of density-functional theory within explicit two-dimensional periodic boundary conditions. The spin-orbit splitting reaches few hundred meV and increases with the size of the metal and chalcogen atoms, resulting in nearly 500 meV for WTe2. Furthermore, we find that similar to the band gap, spin-orbit splitting changes drastically under tensile strain. In centrosymmetric transition metal dichalcogenide bilayers, spin-orbit splitting is suppressed by the inversion symmetry. However, it could be induced if the inversion symmetry is explicitly broken, e.g. by a potential gradient normal to the plane, as it is present in heterobilayers (Rashbasplitting). In such systems, the spin-orbit splitting could be as large as for the heavier monolayer that forms heterobilayer. These properties of transition metal dichalcogenide materials suggest them for potential applications in opto-, spin- and straintronics.

Original languageEnglish
Pages (from-to)395-401
Number of pages7
JournalAnnalen der Physik
Issue number9-10
Publication statusPublished - 2014 Oct 1

Bibliographical note

Publisher Copyright:
© 2014 by Wiley-VCH Verlag GmbH & Co. KGaA.

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)


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