Band Structure of Silver Chloride and Silver Bromide

摘要: The valence and conduction bands of silver chloride bromide were calculated using the augmented-plane-wave (APW) method. For both crystals adjusted so that experimental value direct band gap at $\ensuremath{\Gamma}$ was duplicated (${E}_{g}=5.13$ eV in AgCl, ${E}_{g}=4.29$ AgBr). Several possible correction terms to APW potential considered. effects nonspherical cubic field inside spheres varying outside negligible. mass-velocity large for states which arise from ${\mathrm{Ag}}^{+}(4d)$ electron. indirect gaps 3.28 2.89 AgCl AgBr, respectively. These values are within 10% values. may occur along [110] direction or point $L$.