The structural and magnetic properties of Fen-mCam （n = 3 - 6, m = 0 - 2; n = 13, m = 0 - 3） alloy clusters have been studied using density functional theory. The substitutional doping is favourable for small clusters with up to six atoms at low Ga concentration and substitutional Ga atoms in 13-atom clusters prefer surface sites. The Ca-doping generally could reduce the energetic stability but enhance the electronic stability of Fe clusters, along with a decrease of the local magnetic moments of Fe atoms around Ca dopants. These findings provide a microscopic insight into Fe-Ga alloys which are well：known magnetostriction materials.
The IrTe2 transition metal dichalcogenide un- dergoes a series of structural and electronic phase transi- tions when doped with Pt. The nature of each phase and the mechanism of the phase transitions have attracted much attention. In this paper, we report scanning tunneling mi- croscopy and spectroscopy studies of Pt-doped IrTe2 with varied Pt contents. In pure IrTe2, we find that the ground state has a 1/6 superstructure, and the electronic structure is inconsistent with Fermi surface nesting-induced charge density wave order. Upon Pt doping, the crystal structure changes to a 1/5 superstructure and then to a quasi-periodic hexagonal phase. First-principles calculations show that the superstructures and electronic structures are determined by the global chemical strain and local impurity states that can be tuned systematically by Pt doping.
