Strain dependent tuning electronic properties of noble metal di chalcogenides PdX2 (XÂ =Â S, Se) mono-layer

Electronic properties of noble metal dichalcogenides PdX2 (X = S, Se) mono-layers have been studied using plane wave pseudopotential method based on density functional theory. The observed band gap is 1.28 eV (0.84 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.