6533b7dafe1ef96bd126e3b4

RESEARCH PRODUCT

Phonons in MoSe2/WSe2 van der Waals heterobilayer

Foudil ZaabarFayssal MahroucheFayssal MahroucheKarim RezoualiS. MahtoutAlejandro Molina-sanchez

subject

symbols.namesakeVan der waals heterostructuresCondensed Matter - Materials ScienceCondensed matter physicsCondensed Matter - Mesoscale and Nanoscale PhysicsPhononMesoscale and Nanoscale Physics (cond-mat.mes-hall)symbolsMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciencesvan der Waals forceCondensed Matter PhysicsElectronic Optical and Magnetic Materials

description

We report first-principles calculations of the structural and vibrational properties of the synthesized two-dimensional van der Waals heterostructures formed by single-layers dichalcogenides MoSe2 and WSe2. We show that, when combining these systems in a periodic two-dimensional heterostructures, the intrinsic phonon characteristics of the free-standing constituents are to a large extent preserved but, furthermore, exhibit shear and breathing phonon modes that are not present in the individual building blocks. These peculiar modes depend strongly on the weak vdW forces and has a great contibution to the thermal properties of the layered materials. Besides these features, the departure of flexural modes of heterobilayer from the ones of its monolayer parents are also found.

10.1002/pssb.202100321http://arxiv.org/abs/2105.11370