Intrinsic transport properties of electrons and holes in monolayer transition-metal dichalcogenides

By Zhenghe Jin, Xiaodong Li, J. Mullen, K. W. Kim. 2014

342 citations recorded by the source corpus.

Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition-metal dichalcogenides $M{X}_{2}$ (M=Mo, W; X=S, Se) based on a density functional theory formalism. Due to their structural similarities, all four materials exhibit qualitatively comparable scattering characteristics with the acoustic phonons playing a dominant role near the conduction and valence band extrema at the K point. However, substantial differences are observed quantitatively leading to disparate results in the transport properties. Of those considered, ${\mathrm{WS}}_{2}$ provides the best performance for both electrons and holes with high mobilities and saturation velocities in the full-band Monte Carlo analysis of the Boltzmann transport equation. It is also found that monolayer $M{X}_{2}$ crystals with an exception of ${\mathrm{MoSe}}_{2}$ generally show hole mobilities comparable to or even larger than the value for bulk silicon at room temperature, suggesting a potential opportunity in p-type devices. The analysis is extended to estimate the effective deformation potential constants for a simplified treatment as well.

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/d4df76ebee3cd8c08aa26dceb7d995ee09fc71d1

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Electronic, Optical and Magnetic Materials

Kristian Sommer Thygesen

In Materials Chemistry

Citations in the corpus

Progress in Contact, Doping and Mobility Engineering of MoS2: An Atomically Thin 2D Semiconductor (2018, background): “On the other hand, the predicted phonon-limited hole mobility for monolayer MoS2 is supposed to be as high as 200–270 cm2/V-s [115,117].”
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals (2018, background): “Similarly, for the series MX2 (M = W, Mo, X = S, Se), we calculate roomtemper ature electron mobilities between 200 cm2 V−1 s−1 and 400 cm2 V−1 s−1, which are all within 50% of the ab initio results [149].”