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Effect of Molybdenum 4d Hole Substitution in BaFe2As2

We investigate the thermodynamic and transport properties of molybdenum-doped BaFe2As2 (122) crystals, the first report of hole doping using a 4d element. The chemical substitution of Mo in place of Fe is possible up to ~ 7%. For Ba(Fe1-xMox)2As2, the suppression rate of the magnetic transition temperature with x is the same as in 3d Cr-doped 122 and is independent of the unit cell changes. This illustrates that temperature-composition phase diagram for hole-doped 122 can be simply parameterized by x, similar to the electron-doped 122 systems found in literature. Compared to 122 with a coupled antiferromagnetic order (TN) and orthorhombic structural transition (To) at ~ 132 K, 1.3% Mo-doped 122 (x = 0.013) gives TN = To = 125(1) K according to neutron diffraction results and features in specific heat, magnetic susceptibility and electrical resistivity. The cell volume expands by ~ 1% with maximum Mo-doping and TN is reduced to ~ 90 K. There is a new T* feature that is identified for lightly Cr- or Mo-doped (< 3%) 122 crystals, which is x dependent. This low-temperature transition may be a trace of superconductivity or it may have another electronic or magnetic origin.