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The structural, electronic and magnetic properties of single layers of Iron Dichloride (FeCl$_{2}$) were calculated using first principles calculations. We found that the 1T phase of the single layer FeCl$_{2}$ is 0.17 eV/unit cell more favorable than its 1H phase. The structural stability is confirmed by phonon calculations. We found that 1T-FeCl$_{2}$ possess three Raman-active (130, 179 and 237 cm$^{-1}$) and one Infrared-active (279 cm$^{-1}$) phonon branches. The electronic band dispersion of the 1T-FeCl$_{2}$ is calculated using both GGA-PBE and DFT-HSE06 functionals. Both functionals reveal that the 1T-FeCl$_{2}$ has a half-metallic ground state with a Curie temperature of 17 K.
We report on optically induced, ultrafast magnetization dynamics in the Heusler alloy $mathrm{Co_{2}FeAl}$, probed by time-resolved magneto-optical Kerr effect. Experimental results are compared to results from electronic structure theory and atomist
From first-principles calculations, we predict that transition metal (TM) atom doped silicon nanowires have a half-metallic ground state. They are insulators for one spin-direction, but show metallic properties for the opposite spin direction. At hig
The density of non-quasiparticle states in the ferrimagnetic full-Heuslers Mn$_2$VAl alloy is calculated from first principles upon appropriate inclusion of correlations. In contrast to most half-metallic compounds, this material displays an energy g
Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT) investigat
The XYZ half-Heusler crystal structure can conveniently be described as a tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X species. This description is well suited to understand the electronic structure of semiconducting 8-