First-principles study of the phonon-limited mobility in n-type single-layer MoS2

By K. Kaasbjerg, Kristian Sommer Thygesen, Karsten Wedel Jacobsen. 2012

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mobility of ∼ 410 cm 2 V −1 s −1 is dominated by optical phonon scattering via deformation potential couplings and the Frohlich interaction with the deformation potentials to the intravalley homopo- lar and intervalley longitudinal optical phonons given by 4.1 × 10 8 eV/cm and 2.6 × 10 8 eV/cm, respectively. The mobility is weakly dependent on the carrier density and follows a µ ∼ T − tem- perature dependence with = 1.69 at room temperature. It is shown that a quenching of the characteristic homopolar mode which is likely to occur in top-gated samples, boosts the mobility with ∼ 70 cm 2 V −1 s −1 and can be observed as a decrease in the exponent to = 1.52. Our findings indicate that the intrinsic phonon-limited mobility is approached in samples where a high-� dielectric that effectively screens charge impurities is used as gate oxide.

Subfields: Materials Chemistry

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