| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5447819 | Materials Chemistry and Physics | 2017 | 19 Pages |
Abstract
Electronic properties of noble metal dichalcogenides PdX2 (XÂ =Â S, Se) mono-layers have been studied using plane wave pseudopotential method based on density functional theory. The observed band gap is 1.28Â eV (0.84Â eV) in case of PdS2 (PdSe2) mono-layer which is in close agreement with previous known results. A further variation in band gap is observed in both the two mono-layers on applying biaxial tensile and compression strain. Phonon spectrum of these mono-layers and its strained structure reflect its dynamical stability.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Sohail Ahmad,