Effects of Fe substitution on B3-B1 phase transition and structural, vibrational, and electronic properties of ZnS from DFT calculations

Das, P. K.Mandal, N.Arya, A.2017-09-192017-09-192017Journal of Applied Physics, 2017. Vol. 121 (8): pp. 085101.1-085101.8http://hdl.handle.net/123456789/149804852 bytestext/htmlenB3-B1 phase transitionstructural, vibrational, and electronic propertiesDFT calculationscrystal structuresemi-conductor to conductor behaviorEffects of Fe substitution on B3-B1 phase transition and structural, vibrational, and electronic properties of ZnS from DFT calculationsArticle