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The structure and electronic density of states in layeredLnFeAsO$_{1-x}$F$_x$ (Ln=La,Sm; $x$=0.0, 0.125, 0.25) are investigated usingdensity functional theory. For the $x$=0.0 system we predict a complexpotential energy surface, formed by close-lying single-well and double-wellpotentials, which gives rise to the tetragonal-to-orthorhombic structuraltransition, appearance of the magnetic order, and an anomaly in the specificheat capacity observed experimentally at temperatures below $\sim$140--160 K.We propose a mechanism for these transitions and suggest that these phenomenaare generic to all compounds containing FeAs layers. For $x>$0.0 we demonstratethat transition temperatures to the superconducting state and their dependenceon $x$ correlate well with the calculated magnitude of the electronic densityof states at the Fermi energy.

Mechanism of phase transitions and the electronic density of states in (La,Sm)FeAsO$_{1-x}$F$_x$ from ab initio calculations