| Investigation of Structural and Electronic Properties of SrS Strontium Sulfide Crystal by DFT |
| کد مقاله : 1192-PHYCHEM23 |
| نویسندگان |
|
لیلا توحیدی اصل *1، حمدلله صالحی2 1دانشگاه صنعتی مالک اشتر 2دانشکده علوم دانشگاه شهید چمران |
| چکیده مقاله |
| 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. |
| کلیدواژه ها |
| Density functional theory ,SrS,Wien2k |
| وضعیت: پذیرفته شده برای ارسال فایل های ارائه پوستر |