| 2 | FirstPrincipleCalculations of the Ground and Excited State Properties of RbPbF_(3)显示文摘Structural,elastic,electronic,chemical bonding and optical properties of the cubic RbPbF 3 compound under pres-sure are studied using a highly accurate state-of-the-art full potential linearized augmented plane wave method.The exchange correlation effects are included through the generalized gradient and modified Becke–Johnson ex-change potential.The lattice constant and band gap of the cubic RbPbF 3 decreases with enhanced pressure.RbPbF 3 is brittle,elastically anisotropic,and a direct bandgap material.Its optical properties such as refractive index��(ω),extinction coefficient��(ω),reflectivity��(ω),and optical conductivity��(ω)are predicted. | Hayatullah G.Murtaza R.Khenata S.Naeem M.N.Khalid S.Mohammad | 2013 | Chinese Physics Letters2013，30，9： | 0 |
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