شماره ركورد كنفرانس :
5328
عنوان مقاله :
Investigation of Structural and Electronic Properties of SrS by FP-LAPW method
پديدآورندگان :
Tohidi Asl Leila Department of Science, Malek-e-Ashtar University of Technology, Esfahan, Iran , Salehi Hamdollah Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran
كليدواژه :
Density functional theory , SrS , Wien2k
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
The equilibrium lattice constant and the optimal volume of strontium sulfide crystal were calculated by density functional theory with generalized slope approximation, which is very close to the experimental value, and this approximation was used to draw the density diagrams of the state and the band structure.
