Structural and Magnetic Properties of Co-rich bct CoMn Films (2412.02812v4)

Abstract: Thin-films of bct Co${1-x}$Mn$_x$ grown by molecular beam epitaxy on MgO(001) were measured to have an enhanced atomic magnetic moment of $2.52 \pm 0.07$ $\mu\text{B}/\text{atom}$ beyond the pinnacle of the Slater-Pauling curve for Fe${1-x}$Co${x}$ with a moment of $2.42$ $\mu_\text{B}/\text{atom}$. The compositional variation of the average total moment for thin-film bct Co${1-x}$Mn$_x$ alloys is in stark contrast to the historical measurements of bulk fcc Co${1-x}$Mn$x$. These GGA calculations reveal that significant improvements of this ferromagnetic forced bct phase on MgO(001) are possible via substrate selection. For example, bct Co${1-x}$Mn$x$ films on MgO(001) are calculated to have lower atomic moments than those on substrates with smaller lattice constants such as GaAs(001), BaTiO$_3$(110), and SrTiO$_3$(110) which is predicted to increase the average atomic moment up to $2.61$ $\mu\text{B}/\text{atom}$ and lead to increased structural stability and therefore thicker film growths.