Towards intrinsic phonon transport in single-layer MoS2

Single Layer MoS2 Band Structure and Transport

Nonlinear intrinsic dissipation in single layer MoS2 resonators

Using dissipationmodels based on Akhiezer theory, we analyze themicroscopic origin of nonlinearity in intrinsic loss of a single layerMoS2.We study the intrinsic dissipation of single layerMoS2 under axial and flexuralmode of deformation using molecular dynamics (MD) simulation. We compare the amplitude scaling of intrinsic dissipation for both the cases with our proposed model. In the axial de...

Phonon-limited mobility in n-type single-layer MoS2 from first principles

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...

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(...