Electron–phonon coupling in single-layer MoS2

Phonons in single-layer and few-layer MoS2 and WS2

We report ab initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman-active modes A1g and E1 2g as a function of the number of layers. In agreement with recent Raman spectroscopy measurements [C. Lee et al., ACS Nano 4, 2695 (2010)], we find that the A1g mode increases in frequency with an i...

Electromechanical coupling and design considerations in single-layer MoS2 suspended-channel transistors and resonators.

We report on the analysis of electromechanical coupling effects in suspended doubly-clamped single-layer MoS2 structures, and the designs of suspended-channel field-effect transistors (FETs) and vibrating-channel nanoelectromechanical resonators. In DC gating scenario, signal transduction processes including electrostatic actuation, deflection, straining on bandgap, mobility, carrier density an...

Single Layer MoS2 Band Structure and Transport

Orientation Dependent Thermal Conductance in Single-Layer MoS2

We investigate the thermal conductivity in the armchair and zigzag MoS2 nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal conductivity. Particularly, the thermal conductivity for the armchair MoS2 nanoribbon is about 673.6 Wm(-1) K(-1) in the armchair nanoribbon, and 841.1 Wm(-1) K(...

Doping Properties and Phase Transition in Single-Layer MoS2

Layered inorganic transition metal dichalcogenides (TMDs) exhibit wide variety of electronic properties [1]. Among them, single-layer molybdenum disulfide (SL-MoS2) is one of the most prominent TMDs, which is a direct bandgap semiconductor and possesses carrier mobility comparable to graphene nano-ribbon with high current on-off ratio [2]. The electrical conductivity of MoS2 can be further modu...