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Using first-principles electronic structure calculations based on densityfunctional theory (DFT), we investigate the structural, electronic and magneticproperties of the layered ternary manganese tellurides: AMnTe2 (A = K, Rb, andCs). Calculations are accomplished within the full-potential linearizedaugmented plane wave (FP-LAPW) using the generalized gradient approximation GGAformalism for the exchange correlation term. We have treated all ferromagnetic,antiferromagnetic and non-magnetic phases and found that the ferromagnetic isthe ground-state for all studied compounds. Moreover, all three compounds understudy are half-metals with a total spin magnetic per formula unit of 4 mu_Bwhich is mainly localized at the Mn atoms. We express for these compounds a newversion of the Slater-Pauling rule and discuss in detail the origin of theminority-spin gap. Finally, we have also calculated some other relevantquantities such as the bulk modulus B, the pressure derivative B', the virtualsemiconducting gap Eg, and the half-metallic gap E_HM.

Structural, electronic and magnetic properties of the Manganese telluride layers AMnTe2 (A=K, Rb, Cs) from first-principles calculations