|approved||abstract_osi11_ws2.pdf||2015-04-10 12:19:56||Francisco Hidalgo|
Author: Francisco Hidalgo
Requested Type: Poster
Submitted: 2015-03-27 11:38:52
Co-authors: P. Ordejon, J.M. Pruneda, J.A. Silva-Guillen
Institut Català de Nanociència i Nanotecnologia
Campus de la UAB, Edifici ICN2
Bellaterra, Barcelona 08193
Among all 2 dimensional materials, layered transition metal dichalcogenides have been widely studied because they can provide a rich diversity of mechanical, electronic and optoelectronic properties. In particular, multi-layer tungsten disulfide (WS2) is potentially useful for a variety of devices, including photodetectors and field-effect transistors, because it exhibits a band gap that correspond to the visible to infrared absorption spectra.
Using density functional theory (DFT) with a strictly localized basis set, we discuss in this work the electronic and optical properties of multilayer WS2. Both properties depend on the number of layers.