Biaxial versus uniaxial strain tuning of single-layer MoS2

Precise and reversible band gap tuning in single-layer MoSe2 by uniaxial strain.

We present photoluminescence (PL) spectroscopy measurements of single-layer MoSe2 as a function of uniform uniaxial strain. A simple clamping and bending method is described that allows for application of uniaxial strain to layered, 2D materials with strains up to 1.1% without slippage. Using this technique, we find that the electronic band gap of single layer MoSe2 can be reversibly tuned by -...

Strain-Induced Magnetism in Single-Layer MoS2: Origin and Manipulation

We investigate the strain-induced electronic and magnetic properties of single-layer (1L) MoS2 with vacancy defects using the density functional theory calculation. When the tensile strain is applied, 1L-MoS2 with vacancy becomes ferromagnetic and metallic. We elucidate that, from the electronic band structure of vacancy-defect-doped 1L-MoS2, the impurity bands inside the gap play a role of see...

Single Layer MoS2 Band Structure and Transport

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...

The Strain Rate Effect on the Buckling of Single-Layer MoS2

The Euler buckling theory states that the buckling critical strain is an inverse quadratic function of the length for a thin plate in the static compression process. However, the suitability of this theory in the dynamical process is unclear, so we perform molecular dynamics simulations to examine the applicability of the Euler buckling theory for the fast compression of the single-layer MoS2. ...