The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wa...The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The theoretical calculated optical properties and energy Loss (EEL) spectrum yield a static refractive index of 2.1 and a plasmon energy of 13eV for hexagonal phase. The results, in comparison with the published data, are in good agreement with the experimental and previous theoretical results.展开更多
文摘The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric functions and optical constants are calculated using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The theoretical calculated optical properties and energy Loss (EEL) spectrum yield a static refractive index of 2.1 and a plasmon energy of 13eV for hexagonal phase. The results, in comparison with the published data, are in good agreement with the experimental and previous theoretical results.
