Spin wave excitations in AFe1.5Se2 (A = K, Tl): analytical study

By generalizing the equation of motion method, we can analytically solve the spin wave excitations for the intercalated ternary iron-selenide AFe1.5Se2 (A = K, Tl) in a complex 4 × 2 collinear antiferromagnetic order. It is found that there are one acoustic branch (gapless Goldstone mode) and two gapful optical branches of spin wave excitations with each in double degeneracy. By examining the non-imaginary excitation frequency condition, we can determine the corresponding phase boundary. The exchange couplings between Fe moments in AFe1.5Se2 are derived based on the first-principles total energy calculations. The Fe spin is found to be S= 3/2 through computing the antiferromagnetic quantum fluctuation. It is also found that a very small spin-orientation anisotropy can remarkably suppress the antiferromagnetic quantum fluctuation. The spin dynamical structure factors are calculated and discussed in association with neutron inelastic scattering experiment.