Published: Feb. 27, 2015

MX2The circular polarization (CP) that the photoluminescence inherits from the excitation source innmonolayers of transition-metal dichalcogenides(MX2)nhas been previously explained as a special feature ofoddvalues ofn, where the inversion symmetry is absent. This “valley polarization” effect results from the fact that, in the absence of inversion symmetry, charge carriers in different band valleys could be selectively excited by different circular polarized light. Although several experiments observed CP in centrosymmetricMX2systems, e.g., for bilayerMX2, they were dismissed as being due to some extrinsic sample irregularities. Here we show that also forn=even, where inversion symmetry is present and valley polarization physics is strictly absent, such intrinsic selectivity in CP is to be expected on the basis of fundamental spin-orbit physics. First-principles calculations of CP predict significant polarization forn=2bilayers: from 69% inMoS2to 93% inWS2. This realization could broaden the range of materials to be considered as CP sources.

Q. Liu, X. Zhang, A. Zunger,"" Physical Review Letters 114, 087402 (2015).(PDF)

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