Structural, Electronic, Magnetic and Optical properties of Sm doped ZnS: A First Principle Study
Hareem Mufti,
Fatima Manzoor,
Nisar Ahmad
et al.
Abstract:Wide band gap semiconductors have many applications in photo luminescence devices and optoelectronic devices. We have investigated the structural, magnetic and optical properties of pure ZnS and Sm doped ZnS using density functional theory and implemented first principle linearized augmented plane wave (LAPW) method. For exchange correlation potential energy, generalized gradient approximation (GGA), GGA+U (where U is Hubbard potential) and Trans and Blaha modiefied Becke-Johnson (TB-mBJ) approximations are us… Show more
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